bluuebunny/crossref_metadata_2025 huggingface dataset:
Bis(4-ethylanilinium) 4,5-dichlorophthalate
Authors: Büyükgüngör Orhan , Odabaşoğlu Mustafa
Published: November 2007

The crystal structure of the title compound, 2C8H12N+·C8H3Cl2O4
2−, is stabilized by nine N—H...O and four C—H...O hydrogen bonds, and also by C—H...π interactions. Intramolecular C—H...O hydrogen bonds form C(6) chains along the c axis. This chain and the other hydrogen bonds generate edge-fused [R
1
2(6)R
1
2(4)R
4
3(10)R
1
2(4)R
3
2(9)] motifs in a three-dimensional network. The dihedral angles between the carboxylate anion and the cation aromatic ring planes are 75.90 (2) and 68.15 (2)°, and the dihedral angles between the carboxylate groups and the anion aromatic ring plane are 13.72 (3) and 84.64 (3)°.
Tetrakis(phenylethynyl)tin(IV)
Authors: Lahcini Mohammed , Räisänen Minna T. , Castro Pascal M. , Klinga Martti , Leskelä Markku
Published: November 2007

The asymmetric unit of the crystal structure of the title compound, [Sn(C8H5)4], consists of one fourth of a discrete tin complex and one half of another which both possess nearly ideal tetrahedral symmetry; the site symmetries of the two Sn atoms are \overline4 and 2. The bond angles at all acetylide C atoms are almost linear. The Sn—C distances [2.076 (6) and 2.065 (6)–2.069 (6) Å in the two complexes) are short when compared to the sum of the covalent radii of C and Sn (2.177 Å), but consistent with another tetrakis(alkynyl)tin complex. The acetylenic bond distances [1.196 (7) and 1.183 (7)–1.207 (7) Å] are consistent with a triple C[triple-bond]C bond. Therefore, despite the short Sn—C distances, the ligands are mainly σ-bonded to the metal. In the solid state, these complexes form a three-dimensional network via agostic C—H interactions as a phenyl proton in the ortho position interacts with the acetylenic carbon in the α position to the tin center.
Evidence of a centre of symmetry: redetermination of Ni2.60Te2 from single-crystal data
Authors: Gulay L. D. , Daszkiewicz M. , Pietraszko A.
Published: November 2007

The crystal structure of the title compound, nickel telluride, with composition Ni2.60Te2, has been the subject of a previous investigation based on X-ray powder data, when a slightly different composition of Ni2.58Te2 was determined [Gulay & Olekseyuk (2004). J. Alloys Compd, 376, 131–138]. In contrast to the previous refinement in the space group Pmc21, the redetermination from single-crystal data reveals a centre of symmetry and the structure was refined in the space group Pnma with improved precision for the atomic coordinates and interatomic distances. The structure can be described as a c × a × (3a)1/2 distorted orthorhombic variant of the hexagonal Ni1.10Se0.16Te0.74 structure. All atoms are situated on mirror planes.
Poly[tetra-n-butylammonium [(dimethyl sulfoxide-κO)sesqui(μ2-terephthalato-κ2
O:O′)zincate(II)] 0.67-dimethyl sulfoxide 0.25-pyrazine solvate]
Authors: Yang Shi-Yao , Du Chao , Huang Rong-Bin , Ng Seik Weng
Published: November 2007

The anion of the title compound, {(C16H36N)[Zn(C8H4O4)1.5(C2H6OS)]·0.67C2H6OS·0.25C4H4N2}
n
, exists as a polyanionic layer in which the dimethyl sulfoxide-coordinated Zn atom is bridged by two terephthalate anions (one of which lies on a general position and the other about a center of inversion). The honeycomb layers are wavy, and the sterically bulky cation as well as the dimethyl sulfoxide and pyrazine solvent molecules occupy the space between adjacent layers. These do not interact with the layers. The geometry of the Zn atom is tetrahedral.
(1E,4E)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one
Authors: Nizam Mohideen M. , Thenmozhi S. , Subbiah Pandi A. , Murugan Ramalingam , Narayanan S. Sriman
Published: November 2007

The title compound, C17H12Cl2O, crystallizes in a centrosymmetric space group. The dihedral angle between the two benzene rings is 24.7 (1)°. The crystal packing is characterized by non-classical C—H...O and C—H...Cl inter- and intramolecular hydrogen bonds.
Poly[bis(μ3-naphthalene-1,4-dicarboxylato)(1,10-phenanthroline)dilead(II)]
Authors: Yin Yan-Bing , Yu Hai-Xia
Published: November 2007

In the title compound, [Pb2(C12H6O4)2(C12H8N2)]
n
or [Pb2(1,4-NDC)2(L)]
n
, where 1,4-NDC is naphthalene-1,4-dicarboxylate and L is 1,10-phenanthroline, the 1,4-NDC ligands link the PbII atoms into a layer structure. One Pb atom is ligated by L and also bonded to four 1,4-NDC O atoms and the other Pb atom bonds only to six 1,4-NDC O atoms. The lone pairs of the Pb atoms appear to be stereochemically active. Aromatic π–π stacking between L and 1,4-NDC ligands in adjacent layers helps to establish the packing [minimum centroid–centroid separation = 3.505 (3) Å].
(R)-1-(2-Hydroxy-5-methylphenyl)-N-[(S)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]butan-1-aminium chloride
Authors: Zhang Guang-You , Li Ming , Wang Wan-Hui , Gu Xun-Gang
Published: November 2007

2-{(R)-1-[(S)-1-(2-Methoxy-5-methylphenyl)-2-phenylethylamino]butyl}-4-methylphenol has been synthesized and its absolute configuration determined from the crystal structure of its hydrochloride, the title compound, C27H34NO2
+·Cl−. The absolute configuration of the stereogenic center that carries the 2-methoxy-5-methylphenyl substituent was found to be R. Intermolecular N—H...Cl and O—H...Cl and intramolecular N—H...O hydrogen bonds stabilize the structure.
2,2′-Methylenebis(isoindoline-1,3-dione)
Authors: Jiang Zhou , Wang Jun-Dong , Lin Mei-Jin , Chen Nai-Sheng , Huang Jin-Ling
Published: November 2007

The title compound, C17H10N2O4, consists of two phthalimide units connected by a methylene bridge. The N—C—N bond angle is 110.64 (12)°. In the crystal structure, the dihedral angle between the two phthalimide units in one molecule is 88.96 (2)°. The crystal packing is stabilized by the π–π overlap of neighboring phthalimide units, with closest interplanar packing distances of 3.470 (1) and 3.626 (7) Å, and by weak C—H...O interactions.
2-Aminopyridinium 2-hydroxy-2,2-diphenylacetate
Authors: Li Jie , Li Hongbing , Sui Lihui
Published: November 2007

In the title salt, C5H7N2
+·C14H11O3
−, the cation and anion interact through N—H...O hydrogen bonds involving the protonated NH group of the cation and the hydroxyl group of the anion. Both H atoms of the NH2 group in the cation are engaged in N—H...O hydrogen bonds with the carbonyl groups of two symmetry-related anions, forming an infinite one-dimensional chain in the [100] direction.
4,4,6,8-Tetramethyl-2-tosylpyrrolo[3,4-c]pyrano[6,5-b]pyrimidine-7,9-dione
Authors: Chinnakali K. , Jayagopi M. , Sudha D. , Raghunathan R. , Fun Hoong-Kun
Published: November 2007

In the title compound, C20H25N3O5S, the pyrrolidine ring is trans-fused to the dihydropyran ring. The pyrrolidine ring adopts a twist conformation and the dihydropyran ring is in an envelope conformation. The tosyl group is attached to the pyrrolidine ring in a biaxial position and its benzene ring forms a dihedral angle of 85.61 (4)° with the pyrimidine ring. The crystal packing shows that the molecules are linked into a three-dimensional framework through C—H...O hydrogen bonds.
6,8-Dimethyl-4-phenyl-2-tosylpyrrolo[3,4-c]pyrano[6,5-b]pyrimidine-7,9-dione
Authors: Chinnakali K. , Jayagopi M. , Sudha D. , Raghunathan R. , Fun Hoong-Kun
Published: November 2007

In the title compound, C24H25N3O5S, both the pyrrolidine and dihydropyran rings adopt envelope conformations, and are cis-fused. The tosyl group is equatorially attached to the pyrrolidine ring. The glide-related molecules are linked by C—H...O hydrogen bonds, forming a C(6) chain along the c axis, and adjacent chains are cross-linked via C—H...O and C—H...π interactions, forming a two-dimensional network parallel to the bc plane.
(SP-4-2)-(4,4′-Di-tert-butyl-2,2′-bipyridine-κ2
N,N′)diiodidopalladium(II)
Authors: Jones Peter G. , Fernández-Rodríguez María J. , Martínez-Martínez Antonio J.
Published: November 2007

In the title compound, [PdI2(C18H24N2)], the coordination at the Pd atom is distorted square planar; the ligand bite is 79.19 (17)°. The compound is isotypic with the dichlorido analogue. The Pd—N bond lengths of 2.047 (4) and 2.062 (4)Å are ca 0.03 Å longer than those of the chloride derivative.
4,5,6,7-Tetrafluoro-2-(2-hydroxyphenyl)isoindoline-1,3-dione
Authors: Wang Shou-Xin , Tian Lai-Jin
Published: November 2007

The crystal structure of the title compound, C14H5F4NO3, which was synthesized by the condensation of tetrafluorophthalic anhydride with 2-aminophenol, is stabilized by an intermolecular O—H...O hydrogen bond. The dihedral angle between the phthalimide and hydroxyphenyl planes is 56.88 (6)°.
Bis(1-naphthyl) telluride
Authors: Chauhan Ashok K. S. , Anamika  , Srivastava Ramesh C. , Duthie Andrew
Published: November 2007

Yellow crystals of the title compound, C20H14Te, were obtained serendipitously in an attempt to recrystallize the reduction product of (1-C10H7)[(CH(Me)COC6H5)]TeCl2 from dichloromethane. The molecule exhibits an angular geometry with almost equal Te—Caryl bonds and a C—Te—C angle close to values observed for other diaryl tellurides. One of the aromatic ring systems lies in the C—Te—C plane and the other is oriented at 76.81 (6)°, giving an almost T-shaped conformation that is compatible with the steric demand of 1-naphthyl ligands.
2,8-Dimethoxy-4,10-dimethyl-1,3,7,9-tetranitro-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
Authors: Bhuiyan M. Delower H. , Jensen Paul , Try Andrew C.
Published: November 2007

In the molecule of the title compound, C19H18N6O10, the 2,8-dimethoxy-4,10-dimethyl-1,3,7,9-tetranitro analogue of Tröger's base, the diazocine bridge imparts a twist such that the two aryl rings are offset with respect to one another. The hinge angle of the molecule, measured as the dihedral angle between the two benzene rings, is 103.64 (5)°.
catena-Poly[[tetra-μ-anilinoacetamidato-bis(1,10-phenanthroline)dicerium(III)]-di-μ-anilinoacetamidato]
Authors: Liu T. , Zhu J. Y.
Published: November 2007

The title compound, [Ce2(C8H8N2O)6(C12H8N2)2]
n
, is a polymeric complex based on a binuclear unit with an inversion centre midway between the two CeIII ions, which are bridged by two tridentate, two bidentate and four monodentate (within the binuclear unit) acetamide groups. Each Ce atom is nine-coordinated by two 1,10-phenanthroline N atoms, four O and three N atoms of anilinoacetamide ligands. In the crystal structure, C—H...O, C—H...N, N—H...N and N—H...O hydrogen bonds result in the formation of a supramolecular network structure; an N—H...O hydrogen bond is also present within one ligand.
3-(Trifluoromethyl)anilinium 2-carboxy-4,5-dichlorobenzoate
Authors: Odabaşoğlu Mustafa , Büyükgüngör Orhan
Published: November 2007

The crystal structure of the title compound, C7H7F3N+·C8H3Cl2O4
−, is stabilized by five N—H...O, one O—H...O, two C—H...O and three C—H...X (X = F, Cl) hydrogen bonds. Intramolecular O—H...O and C—H...X hydrogen bonds generate edge-fused [S(7)R
4
4(24)S(7)R
2
2(10)S(7)R
4
4(24)S(7)] motifs. The cations and anions are linked to each other by C—H...O hydrogen bonds, forming a chain along the c axis. This chain and the other hydrogen bonds form [R
3
2(6)R
1
2(4)S(7)R
1
2(4)R
4
4(18)R
5
5(24)R
4
4(18)R
1
2(4)R
1
2(4)S(7)R
1
2(4)R
3
2(6)] motifs. The dihedral angle between the planes of the aromatic rings in the cation and anion is 34.86 (1)°.
2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate
Authors: Holtby Andrew S. , Harrison William T. A.
Published: November 2007

In the title compound, (C3H12N2O)[Zn(HPO3)2]·0.5H2O, the inorganic macroanionic chain is built up from ZnO4 tetrahedra and HPO3 pseudo-pyramids sharing vertices. The organic dication shows positional disorder of its central –OH group in a 0.614 (7):0.386 (7) ratio. The components interact by way of O—H...O and N—H...O hydrogen bonds. The Zn atom lies on a crystallographic twofold axis and one C atom, the disordered O atoms of the –OH groups and the water O atom lie on a crystallographic mirror plane.
Conessine isolated from Holarrhena floribunda
Authors: Lannang Alain Meli , Anjum Shazia , Tangmouo Jean Gustave , Krohn Karsten , Choudhary M. Iqbal
Published: November 2007

The title compound, C24H40N2, has been isolated from Holarrhena floribunda G. Don. (Apocynaceae). The compound has a pentacyclic steroidal nucleus; the ring junctions share the same stereochemistry reported for this class of compounds. Of the three six-membered rings, rings A and C adopt a chair-like and ring B forms a half-chair-like conformation. The cyclopentane ring D shows a half-chair conformation and the methylpyrrolidine ring E adopts an envelope conformation. The dimethylamino substituent in ring A is equatorially oriented.
Tetrakis(μ-naphthalene-1-acetato)bis[(naphthalene-1-acetato)(1,10-phenanthroline)ytterbium(III)]
Authors: Xia Hai-Tao , Liu Yu-Fen , Wang Da-Qi , Yang Shu-Ping
Published: November 2007

The title complex, [Yb2(C12H9O2)6(C12H8N2)2], has a centre of symmetry. The nine-coordinate YbIII atom has a distorted monocapped square antiprismatic geometry. Molecules are linked into three chains by C—H...O hydrogen bonds and π–π stacking interactions [centroid-to-centroid distance 3.775 (4) Å]; combination of the three chains results in the formation of a three-dimensional network.
2,6-Diamino-5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-ylmethyl)-4-oxopyrimidin-1-ium 3,5-dinitrobenzoate
Authors: Subashini Annamalai , Muthiah Packianathan Thomas , Bocelli Gabriele , Cantoni Andrea
Published: November 2007

In the title compound, C9H13N8O2
+·C7H3N2O6
−, the aminopyrimidine molecule is protonated at one of the pyrimidine N atoms. The carboxylate group of the 3,5-dinitrobenzoate anion interacts with the protonated N atom and the 2-amino group in a nearly linear fashion through a pair of N—H...O hydrogen bonds, generating the typical R
2
2(8) motif. Two inversion-related pyrimidine units are connected through a pair of N—H...N hydrogen bonds, forming a cyclic hydrogen-bonded R
2
2(8) motif. In addition to the base pairing, one of the carboxylate O atoms bridges the 4′-amino and 6′-amino groups on both side of the pairing, forming a DADA array. The molecular conformation of the cation is stabilized by two intramolecular N—H...O hydrogen bonds.
4-tert-Butyl-2-{[(E)-2,6-diisopropylphenylimino]methyl}-6-(1-phenylethyl)phenol
Authors: Cui Jin , Zhang Mingjie , Zhu Jie , Cui Naijing , Liu Bo
Published: November 2007

The title compound, C31H39NO, was prepared by the condensation of 5-tert-butyl-2-hydroxy-3-(1-phenylethyl)benzaldehyde with 2,6-diisopropylphenylamine in refluxing ethanol. The phenol ring and the phenylimino ring are approximately perpendicular, forming a dihedral angle of 81.5 (3)°. The phenyl ring makes a dihedral angle of 75.2 (2)° with the phenol ring and also makes a dihedral angle of 62.9 (3)° with the phenylimino ring. The molecular structure is stabilized by an intramolecular O—H...N hydrogen bond linking the phenol OH group and the phenylimino N atom. One of the isopropyl groups is disordered over two positions; the site occupancies are 0.55 and 0.45.
Triaqua[3-(4-carboxylatophenoxy)propionato-κO](1,10-phenanthroline-κ2
N,N′)zinc(II)
Authors: Kong Li-Li , Gao Shan , Huo Li-Hua
Published: November 2007

The title compound, [Zn(C10H8O5)(C12H8N2)(H2O)3], is a neutral mononuclear complex. The Zn atom has a distorted octahedral geometry involving one O atom of the 3-(4-carboxylatophenoxy)propionate group, two N atoms of the 1,10-phenanthroline ligand and three water molecules. Extensive hydrogen-bonding and π–π stacking interactions [centroid–centroid distance = 3.656 (3) Å] construct a three-dimensional supramolecular network.
Ethyl (E)-2-(4-chlorobenzylidene)hydrazinecarboxylate
Authors: Gao Bo
Published: November 2007

The title compound, C10H11ClN2O2, crystallizes with two independent, but essentially identical molecules in the asymmetric unit. Each planar molecule is in the E configuration about the C=N bond. Intermolecular N—H...O hydrogen bonds link molecules into a one-dimensional chain aligned along the [101] direction.
N,N,N′,N′-Tetraphenylnaphthalene-1,4-dicarboxamide
Authors: Jing Lin-Hai , Qin Da-Bin
Published: November 2007

The title compound, C36H26N2O2, crystallizes with two molecules in the asymmetric unit. The two molecules differ slightly in the orientations of the phenyl rings; the dihedral angles between the two phenyl rings attached to each N atom are 68.77 (1)/83.28 (1) and 74.05 (1)/64.84 (1)°. The crystal packing is stabilized by C—H...O and C—H...π interactions.
Tetrakis[2-(dimethylaminomethyl)phenyl]-1κC,2κC,3κC,4κC-hexa-μ-sulfido-1:2κ4
S:S;1,4κ2
S:S;2:3κ2
S:S;3:4κ4
S:S-tetratin(IV) chloroform solvate
Authors: Varga Richard A. , Silvestru Cristian
Published: November 2007

The title compound, [Sn4(C9H12N)4S6]·CHCl3, consists of four [2-(Me2NCH2)C6H4]Sn units bridged by six S atoms along with a disordered solvent molecule. The cage-like structure has two four-membered Sn2S2 rings linked by two S atoms in an Sn4S6 skeleton. The asymmetry of the Sn—S bonds in the four-membered rings is the result of the combined effect of the trans influence of the strong N→ Sn intramolecular coordination as well as the Sn—S (axial and equatorial) bonds. The Sn atoms are pentacoordinated with a (C,N)SnS3 trigonal bipyramidal core. Owing to intermolecular H...Ph interactions, the molecules are arranged into a polymeric ribbon along the b axis of the monoclinic unit cell. The solvent Cl atoms are disordered over two positions; the site occupancies are 0.58 and 0.42.
Diaquabis{2,4-dibromo-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}nickel(II) dichloride hemihydrate
Authors: Tang Chun-Bao
Published: November 2007

The title complex, [Ni(C12H16Br2N2O2)2(H2O)2]Cl2·0.5H2O, consists of a centrosymmetric mononuclear nickel(II) complex cation, two symmetry-related chloride anions and a half-occupancy water molecule. The Ni atom, lying on an inversion centre, is six-coordinated by two phenol O atoms, two imine N atoms from two Schiff base ligands, and the O atoms from two water molecules, forming an octahedral geometry. Adjacent molecules are linked through intermolecular hydrogen bonds, forming chains running along the b axis.
Bis(2-hydroxybenzonitrile-κN)dimethylbis(trimethylphosphine-κP)cobalt(III) iodide
Authors: Yu Fengli , Zhou Jin , Li Xiaoyan
Published: November 2007

In the title compound, [Co(CH3)2(C7H5NO)2(C3H9P)2]I, the CoIII atom lies in the centre of a distorted octahedron. The central CoIII atom is coordinated by the N atoms of two 2-hydroxybenzonitrile ligands, which are positioned in the equatorial plane. The cation lies on a mirror plane (passing through Co and the phosphine ligands) and has approximate C2v symmetry except for the OH groups. The anion also lies on a mirror plane.
(2E)-1-(2-Thienyl)-3-(2,3,5-trichlorophenyl)prop-2-en-1-one
Authors: Narayana B. , Mustafa K. , Sarojini B. K. , Yathirajan H. S. , Bolte Michael
Published: November 2007

The geometric parameters of the title compound, C13H7Cl3OS, are in the usual ranges. The molecule is almost planar (r.m.s. deviation of all non-H atoms 0.193 Å). The dihedral angle between the two aromatic rings is 14.41 (7)°. The C=C double bond is trans configured. The bond between the carbonyl bond and the thienyl ring is in an eclipsed conformation. The crystal packing is stabilized by a weak C—H...O hydrogen bond.
2-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl}-5-methyl-1,3,4-thiadiazole
Authors: Wang Pin-liang , Li Hai-ling , Kang Si-shun , Wang Hai-bo
Published: November 2007

The title compound, C12H9ClN4OS2, was synthesized via condensation of 5-chloromethyl-3-(4-chlorophenyl)-1,2,4-oxadiazole with 5-mercapto-2-methyl-1,3,4-thiadiazole. The benzene and oxadiazole rings are coplanar due to the extended aromatic system. The angle between this plane and the thiadiazole ring is 82.2 (3)°.
2,6-Bis(3,4-dimethoxybenzylidene)-4-ethylcyclohexanone
Authors: Mudakavi Rajeev , Brinda  , Murthy M. Srinivas , Chopra Deepak , Row T. N. Guru
Published: November 2007

In the title compound, C26H30O5, both the double bonds exist in an E configuration. The aryl rings are not coplanar with the adjacent olefinic groups owing to non-bonded interactions between the ortho H atoms of the aryl rings and the equatorial H atoms at the 3- and 5-positions of the cyclohexyl ring; the dihedral angles between the aryl rings and the olefinic groups are 33.7 (3) and 48.6 (4)°. The cyclohexanone ring adopts an envelope conformation and the crystal structure is stabilized by C—H...O hydrogen bonds.
(2R,4S,7R,9S)-5,6-Diisopropyl-1,10-dimethoxy-3,8-dimethyldeca-3,4,6,7-tetraene-2,9-diol
Authors: Poonoth Manojkumar , Schürmann Markus , Preut Hans , Krause Norbert
Published: November 2007

The molecule of the title compound, C20H34O4, is centrosymmetric. In the crystal structure, a network of O—H...O hydrogen bonds result in each molecule being linked to four neighbouring molecules and a two-dimensional net is formed.
N-(6-Bromopyridin-2-yl)pyridin-2-amine
Authors: Wu Jian
Published: November 2007

In the title compound, C10H8BrN3, the dihedral angle between the pyridine ring planes is 6.10 (15)°. In the crystal structure, the molecules are linked by N—H...N hydrogen bonds, leading to chains.
[5,10,15,20-Tetrakis(2,6-dimethoxyphenyl)porphyrinato]nickel(II)–toluene–dichloromethane (3/2/4):a mixed solvate
Authors: Conrad Diane , DeCoskey Jennifer , Yeisley Christopher , Zeller Matthias , Hunter Allen D. , Zovinka Edward P.
Published: November 2007

The crystal structure, electronic spectroscopy, and 1H NMR data for the title compound, [Ni(C52H44N4O8)]·0.67C7H8·1.33CH2Cl2, are reported. The compound was prepared by the reaction of nickel(II) acetate with the ligand in refluxing glacial acetic acid. The asymmetric unit consists of 1.5 nickel porphyrins, two dichloromethane molecules and one toluene molecule. One of the nickel–porphyrinate molecules is located on an inversion center and is planar in the solid state, while the other assumes a saddle-shaped geometry. In both cases, the nickel ion is four-coordinate.
Aqua(nitrato-κ2
O,O′)bis(4-nitrobenzohydrazide-κ2
N
2,O)cadmium(II) nitrate
Authors: Chundak S. Yu. , Lukachinec L. Yu. , Daszkiewicz M.
Published: November 2007

In the title compound, [Cd(NO3)(C7H7N3O3)2(H2O)]NO3, the Cd atom is coordinated by two organic ligands, a water molecule and a nitrate anion. The coordination can be described as distorted pentagonal bipyramidal. Geometric parameters show that the nitrate anion is coordinated in the bidentate mode. Non-coordinated and bidentate chelating nitrates create hydrogen-bonding networks in the a- and b-axis directions, respectively. Parallel-oriented 4-nitrobenzohydrazides help to establish the packing.
Poly[[diaquabis(μ4-benzene-1,3-dicarboxylato)(μ3-benzene-1,3-dicarboxylato)dierbium(III)] monohydrate]
Authors: Song Wen-Dong , Ma De-Yun , Zhang Chao-Hua
Published: November 2007

The title erbium coordination polymer, {[Er2(C8H4O4)3(H2O)2]·H2O}
n
, was obtained by the hydrothermal reaction of ErCl3 with benzene-1,3-dicarboxylic acid (1,3-BDC) in alkaline aqueous solution. Each of the two crystallographically independent ErIII ions is seven-coordinate and has a distorted pentagonal–bipyramidal geometry. One Er centre is coordinated by seven O atoms from six 1,3-BDC ligands and the other Er centre is surrounded by five O atoms from five 1,3-BDC ligands and two water molecules. The bridging ligands, which have two different coordination modes, link the metal centres to form a three-dimensional network with channels parallel to the b axis in which solvent water molecules are located. The crystal structure is stabilized by intra- and intermolecular O—H...O hydrogen-bonding interactions. One benzene ring and the solvent water molecule are independently disordered over two positions each, with occupancy ratios of 0.595 (2):0.405 (2) and 0.661 (1):0.339 (1), respectively.
Dichlorido{2-[(4-iodophenyl)iminomethyl]pyridine-κ2
N,N′}zinc(II)
Authors: Dehghanpour Saeed , Mahmoudi Ali , Khalaj Mehdi , Salmanpour Sadegh , Adib Mitra
Published: November 2007

In the title complex, [ZnCl2(C12H9IN2)], the ZnII atom has a distorted tetrahedral coordination. The organic ligand is bidentate, coordinating the ZnII atom via the two N atoms.
9-(2-tert-Butylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate
Authors: Sikorski Artur , Krzymiński Karol , Malecha Piotr , Lis Tadeusz , Błażejowski Jerzy
Published: November 2007

The crystal structure of the title compound, C25H24NO2
+·CF3SO3
−, is stabilized by C—H...O, C—H...F and C—H...π hydrogen bonds, and by O...F [2.94 (1) Å] and O...N [2.87 (1) Å] interactions. In the packing of the molecules, acridine groups are either parallel or inclined at an angle of 5.4 (1)°. Similarly, the benzene rings are either parallel or lie at an angle of 72.4 (1)°.
Triaquabis(4-formylbenzoato-κ2
O,O′)cadmium(II) trihydrate
Authors: Deng Zhao-Peng , Gao Shan , Huo Li-Hua , Zhao Hui
Published: November 2007

The title complex, [Cd(C8H5O3)2(H2O)3]·3H2O, is a neutral mononuclear molecule consisting of a CdII atom chelated by two 4-formylbenzoate ligands and coordinated by three water molecules in a pentagonal–bipyramidal geometry. A three-dimensional hydrogen-bonded supramolecular network is formed by intermolecular hydrogen bonds.
Bis(adeninium) chloranilate dihydrate
Authors: Gotoh Kazuma , Ishikawa Rie , Ishida Hiroyuki
Published: November 2007

In the crystal structure of the title compound, 2C5H6N5
+·C6Cl2O4
2−·2H2O, two adeninium cations, one chloranilate dianion and two water molecules are held together by O—H...O, N—H...O, O—H...Cl and C—H...O hydrogen bonds, forming a centrosymmetric unit. The chloranilate dianion resides on an inversion centre. The anion and two cations are approximately coplanar, the dihedral angle between the planes of the adeninium cation and the chloranilate dianion being 3.25 (3)°. The crystal structure is stabilized by inter-unit N—H...N, N—H...O, N—H...Cl and O—H...N hydrogen bonds, forming a three-dimensional hydrogen-bonding network.
N,N-Dicyclohexyl-2-(5,7-dibromoquinolin-8-yloxy)acetamide
Authors: Liu Jian-Fei , Tang Xiao-Fang , Wen Yong-Hong
Published: November 2007

In the title compound, C23H28Br2N2O2, all bond lengths and angles are within normal ranges. The two cyclohexyl groups adopt the normal chair conformation. The sum of the angles around the amide N and C atoms are both 360°, implying a planar configuration. The crystal packing is stabilized by intermolecular C—H...O hydrogen bonds.
catena-Poly[[[diaquabarium(II)]-bis[μ-2-(4-carboxyphenoxy)propionato-κ3
O,O′:O′] dihydrate]
Authors: Kong Li-Li , Gao Shan , Huo Li-Hua , Ng Seik Weng
Published: November 2007

In the crystal structure of the polymeric title compound, {[Ba(C10H9O5)2(H2O)2]·2H2O}
n
, the BaII atom is O,O′-chelated by the carboxylate end of two 2-(4-carboxyphenoxy)propionate monoanions, and is coordinated by two water molecules. It also interacts with the carboxylate O atom of two adjacent monoanions; these bonds give rise to a chain structure along the c axis. Meanwhile, the carboxyl –CO2H end of the anion interacts with an acceptor site [O...O = 2.608 (2) Å]; this interaction and hydrogen bonding involving the coordinated and lattice water molecules give rise to a three-dimensional network. The eight coordinating O atoms comprise a square-antiprism around the metal atom, which lies on a special position of site symmetry 2.
Ethyl 3-(4-chlorophenyl)-5-(ethoxycarbonyl)-1H-pyrazole-1-acetate
Authors: Dong Wen-Liang , Dong Wen-Liang , Xia Yong , Ge Yan-Qing , Zhao Bao-Xiang
Published: November 2007

In the title compound, C16H17ClN2O4, all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 5.75 (8)°. The molecules are linked into a network by intermolecular C—Cl...π interactions.
4,4,7,7-Tetramethyl-2-tosyl-2,3,3a,4,6,7,8,9-octahydro-1H-pyrrolo[3,4-c]pyrano[6,5-b]cyclohexan-9-one
Authors: Chinnakali K. , Sudha D. , Jayagopi M. , Raghunathan R. , Fun Hoong-Kun
Published: November 2007

The title compound, C22H29NO4S, crystallizes with three independent molecules, A, B and C, in the asymmetric unit. Each of the three independent molecules adopts a folded conformation, with the phenylsulfonyl group lying over the pyranocyclohexanone ring system, and with the pyrrolidine and dihydropyran rings cis-fused. In all three molecules, the pyrrolidine ring has a twist conformation and the dihydropyran ring is in a half-chair conformation. The cyclohexenone rings adopt envelope conformations, with the flap atom puckered towards the phenylsulfonyl group in molecule A, and away from that group in molecules B and C, resulting in a different overall conformation for molecule A compared to B and C. In all molecules, the tosyl group is equatorially attached to the pyrrolidine ring. In the crystal structure, the molecules are linked into a three-dimensional framework by C—H...O hydrogen bonds.
4-Hydroxyimino-2-phenylperhydroquinolinium chloride hemihydrate
Authors: Thiruvalluvar A. , Natarajan D.
Published: November 2007

The title compound, C15H21N2O+·Cl−·0.5H2O, crystallizes with two cations, two anions and one water molecule in the asymmetric unit. Both the piperidine and cyclohexane rings adopt chair conformations and the oxime groups are basically planar. The cyclohexane ring is equatorially oriented with respect to the piperidine ring. The crystal structure is stabilized by N—H...Cl, C—H...Cl, C—H...O, N—H...N and O—H...Cl hydrogen bonds. A water molecule that bridges the two crystallographically independent chloride anions via hydrogen bonds is disordered over two chemically equivalent sites, with occupancy factors of ca 0.9:0.1.
catena-Poly[1-ethyl-4-methylpyridinium [argentate(I)-di-μ-iodido]]
Authors: Wang Yun Jie , Li Hao Hong , Chen Zhi Rong , Huang Chang Cang , Liu Ji Bo
Published: November 2007

The title compound, {(C8H12N)[AgI2]}
n
, was synthesized by a self-assembling reaction of 1-ethyl-4-methylpyridinium iodide and silver(I) iodide. The anion adopts a one-dimensional chain structure with the Ag atom in the chain in a nearly regular tetrahedral environment. The crystal packing is stabilized by electrostatic interactions and by a C—H...I hydrogen bond between a methylene H atom of the ethyl substituent and an I atom.
Pyrimethaminium nicotinate monohydrate
Authors: Balasubramani Kasthuri , Muthiah Packianathan Thomas , Bocelli Gabriele , Cantoni Andrea
Published: November 2007

In the title compound, C12H14ClN4
+·C6H4NO2
−·H2O, the pyrimethamine molecule is protonated at one of the pyrimidine N atoms. The protonated N atom and 2-amino group of the cation interact with an adjacent nicotinate anion through a pair of N—H...O hydrogen bonds [graph set R
2
2(8)]. The cation, anion and water molecule form a hydrogen-bonded ring motif with graph-set notation R
4
2(8). The crystal structure is further stabilized by N—H...O and O—H...O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.637 (6) Å].
1,4-Bis(3-pyridylaminomethyl)benzene
Authors: Zhu Li-Na , Gao Shan , Huo Li-Hua
Published: November 2007

A new flexible bis(pyridyl) complex, C18H18N4, was prepared by the reaction of terephthalaldehyde with 3-aminopyridine. The molecule is centrosymmetric. Mononuclear units are linked into a one-dimensional chain by intermolecular N—H...N hydrogen bonds. The dihedral angle bentween the pyridyl ring and the central benzene ring is 63.6 (2)°.
Di-μ-iodido-bis[iodido(triphenylphosphine-κP)platinum(II)]
Authors: Biswas Achintesh Narayan , Bagchi Vivek , Das Purak , Bandyopadhyay Pinaki
Published: November 2007

Each Pt atom in the dimeric iodide-bridged title compound, [Pt2I4(C18H15P)2], is tetracoordinated by a triphenylphosphine P and three I atoms in an approximately square-planar geometry. The trans influence of triphenylphosphine is evident from the longer Pt—I bond length.
(S)-O-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate
Authors: Jacobs Tia , Bredenkamp Martin W.
Published: November 2007

Crystallization of the (S)-enantiomer of the title compound, C21H26NO2S, from methanol gave an unsolvated crystal structure in which one-dimensional strands of molecules are formed through a series of C—H...O and C—H...S hydrogen bonds, and C—H...π interactions.
catena-Poly[[[aquazinc(II)]-bis[μ-(p-phenylenedioxy)diacetato]-zinc(II)-μ-1,4-bis(1H-imidazol-l-yl)butane] dihydrate]
Authors: Lv Ming
Published: November 2007

In the title compound, {[Zn2(C10H8O6)2(C10H14N4)(H2O)2]·2H2O}
n
, the ZnII atom is six-coordinated by one N atom from one 1,4-bis(1H-imidazol-l-yl)butane ligand and five O atoms from two different (p-phenylenedioxy)diacetate ligands and one water molecule in a very distorted ZnNO5 octahedral environment. Two (p-phenylenedioxy)diacetate ligands bridge two ZnII atoms to form a dimer. The dimers are further linked by the centrosymmetric 1,4-bis(1H-imidazol-l-yl)butane ligands, thus forming a chain structure. O—H...O hydrogen bonds link the chains, forming a three-dimensional supramolecular network.
Hydrogen-bonding patterns in the cocrystal 2,4-diamino-6-phenyl-1,3,5-triazine–sorbic acid (1/1)
Authors: Thanigaimani Kaliyaperumal , Muthiah Packianathan Thomas , Lynch Daniel E.
Published: November 2007

In the title cocrystal, C9H9N5·C6H8O2, the asymmetric unit contains one 2,4-diamino-6-phenyl-1,3,5-triazine molecule and a sorbic acid molecule. The triazine molecules are base-paired [with a graph set of R
2
2(8)] on either side via N—H...N hydrogen bonds, forming a supramolecular ribbon along the c axis. Each triazine molecule interacts with the carboxyl group of a sorbic acid molecule via N—H...O and O—H...N hydrogen bonds, generating R
2
2(8) motifs. The supramolecular ribbons are interlinked by N—H...O hydrogen bonds involving the 2-amino group of the triazine molecules and the carboxyl O atom of the sorbic acid molecule.
(S)-Methyl 2-(2-iodobenzamido)propionate
Authors: Koposov Alexey Y. , Nemykin Victor N. , Zhdankin Victor V.
Published: November 2007

In the title compound, C11H12INO3, molecules are linked into one-dimensional chains along the crystallographic a axis by strong intermolecular N—H...O hydrogen bonds. The one-dimensional chains are additionally stabilized by weak intermolecular Car—H...O interactions. Unlike its iodine(V) analogues, the organic chain substituent in the title iodine(I) compound is not coplanar with the aromatic core but exhibits a C—C—C—O torsion angle of 50.3 (7)°.
4-Hydroxy-3,5-dimethoxybenzaldehyde isonicotinoylhydrazone monohydrate
Authors: Sun Yi-Feng , Wang Xin-Li , Li Ji-Kun , Cheng Xue-Li , Wu Ren-Tao
Published: November 2007

In the title compound, C15H15N3O4·H2O, the organic molecule exists in the keto–imine tautomeric form. The benzene ring makes a dihedral angle of 49.9 (2)° with the pyridine ring. The molecules pack in a three-dimensional framework structure by a combination of O—H...O, O—H...N, N—H...O and N—H...N hydrogen bonds. The water molecule of hydration is disordered [ratio of components 0.758 (7):0.242 (7)].
Aqua{5,5′-dihydroxy-2,2′-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ4
O,N,N′,O′}zinc(II) trihydrate
Authors: Eltayeb Naser Eltaher , Teoh Siang Guan , Chantrapromma Suchada , Fun Hoong-Kun , Ibrahim Kamarulazizi
Published: November 2007

In the title complex, [Zn(C20H14N2O4)(H2O)]·3H2O, the ZnII center is in an approximately square-pyramidal coordination environment with the two N and two O atoms of the tetradentate Schiff base ligand forming the basal plane and the coordinated water molecule in the apical position. Three solvent water molecules complete the asymmetric unit. The dihedral angles between the two outer benzene rings of the Schiff base and the central benzene ring are 12.64 (14) and 17.25 (14)°. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into sheets parallel to the ab plane.
Dichlorido(N,N′-dibenzylideneethane-1,2-diamine-κ2
N,N′)[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ2
O,O′]titanium(IV)
Authors: Chen Chien-An , Chiang Liang-Ying , Gau Han-Mou
Published: November 2007

The title compound, [TiCl2(C31H28O4)(C16H16N2)], is a titanium(IV) complex of the bidentate 2,2-dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolate (TADDOLate) ligand containing also two chloride ions and a bidentate neutral N,N′-dibenzylideneethane-1,2-diamine ligand. The molecular structure has a distorted octahedral geometry around the titanium metal center. The Ti—N bond lengths of 2.246 (2) and 2.2476 (17) Å are long, indicating weak bonding between the titanium(IV) metal center and the imine N atoms. Though the two chloride ligands are trans to each other, they bend away from the Ti–TADDOLate bonds with a Cl—Ti—Cl angle of 163.96 (3)°.
(2E)-1-(2-Hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Authors: Sarojini B. K. , Yathirajan H. S. , Mustafa K. , Sarfraz H. , Bolte Michael
Published: November 2007

Geometric parameters of the title compound, C16H14O3, a chalcone derivative, are in the usual ranges. The C=C double bond is trans configured. The molecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.066 Å). The molecular conformation is stabilized by an O—H...O hydrogen bond.
4-(4-Chlorobenzyloxy)-3-methoxybenzaldehyde
Authors: Liu Shou-Xin , Tian Xia , Zhen Xiao-Li , Li Zhen-Chao , Han Jian-Rong
Published: November 2007

In the title compound, C15H13ClO3, the vanillin group makes a dihedral angle of 72.79 (9)° with the chlorobenzene ring. The crystal structure is stabilized by weak non-classical intermolecular C—H...O hydrogen bonds that form centrosymmetric dimers.
4,4′-Bipyridyl–2-chloro-4-nitrobenzoic acid (1/2)
Authors: Gotoh Kazuma , Ishida Hiroyuki
Published: November 2007

In the crystal structure of the title 1:2 cocrystal, C10H8N2·2C7H4ClNO4, the two components are held together by short O—H...N hydrogen bonds. The pyridine rings of the bipyridyl molecule are twisted by 27.90 (5)° with respect to each other. The 1:2 units are connected by C—H...O hydrogen bonds, forming a centrosymmetric supramolecular ring.
(2E)-Methyl 2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate
Authors: Chopra Deepak , Mohan T. P. , Rao K. S. , Guru Row T. N.
Published: November 2007

The title compound, C22H16N3O5, also known as azoxystrobin, possesses fungicidal properties. The dihedral angles between the cyanophenoxy and oxophenyl rings and the central pyrimidinyl ring are 80.5 (2) and 76.0 (1)°, respectively. The crystal structure is stabilized by aromatic π–π staching interactions between the pyrimide rings, the centroid–centroid distance being 3.914 (9) Å.
1-[2-Hydroxy-4-(3-methylbut-2-enyloxy)phenyl]ethan-1-one
Authors: Cheng Die , Liu Mo , Liu Deng-Ke , Liu Ying , Liu Chang-Xiao
Published: November 2007

The title compound, C13H16O3, is an intermediate in the synthesis of the anti-ulcer agent sofalcone. The asymmetric unit contains two independent molecules. Intramolecular O—H...O hydrogen bonds are formed between the carbonyl and hydroxyl groups.
2-(1H-Benzotriazol-1-yl)-1-(2-fluorobenzoyl)ethyl benzoate
Authors: Bi Sai , Luo Hao , Zeng Wu-Lan , Wan Jun
Published: November 2007

In the molecule of the title compound, C22H16FN3O3, intramolecular C—H...F hydrogen bonding results in the formation of a six-membered ring. In the crystal structure, intermolecular C—H...O hydrogen bonds link the molecules into centrosymmetric dimers. The packing is further stabilized by π–π interactions [centroid–centroid distance = 3.601 (2) Å].
15a,15b-Dihydro-5H,7H,9H,14H,17H-15,16-methanodibenzo[e]diazepino[2,3-c;3′,2′-e]imidazole-7,18-dione
Authors: Hu Yan , Zhou Bao-han , Cao Li-ping
Published: November 2007

The title compound, C20H18N4O2, is a molecular clip based on the glycoluril framework. The two benzene rings are each fused to a seven-membered ring; these rings bind four of the N atoms from separate rings of the glycoluril system to form the sidewalls of the molecular clip. The crystal packing is stabilized by non-classical C—H...O hydrogen bonds. There are no π–π stacking interactions in the crystal structure. The molecule provides a model with approximate non-crystallographic C
2v
symmetry.
1,1′-Methylenebis(2,3-dimethylimidazolium) dipicrate acetonitrile solvate
Authors: Li Jian
Published: November 2007

In the title salt, C11H18N4
2+·2C6H2N3O7
−·C2H3N, the dihedral angle between the imidazolium rings in the dication is 74.4 (2)°, and the benzene rings of the two independent picrate anions are almost parallel, with a dihedral angle of 12.0 (1)° between them.
A 1:1 cocrystal of 2,8-bis(trifluoromethyl)quinolin-4-ol and 2,8-bis(trifluoromethyl)quinolin-4(1H)-one
Authors: Sarojini B. K. , Narayana B. , Mayekar Anil N. , Yathirajan H. S. , Bolte Michael
Published: November 2007

In the title compound, C11H5F6NO·C11H5F6NO, both molecules (except F and H atoms) are essentially planar (the r.m.s. deviations for all non-H atoms are 0.008 and 0.034 Å for the alcohol and ketone, respectively). The two molecules are connected by an O—H...O hydrogen bond. The protonated N atom is shielded and therefore does not form a hydrogen bond. The F atoms of one trifluoromethyl group are disordered over two positions; the site occupancy factors are 0.88 and 0.12.
Diaquabis(5-n-butylpyridine-2-carboxylato-κ2
N,O)nickel(II) dihydrate
Authors: Qin Liang , Guo Hai-Fu , Li Xiang , Ma De-Yun , Song Wen-Dong
Published: November 2007

The metal atom of the title compound, [Ni(C10H13NO2)2(H2O)2]·2H2O, lies on an inversion center; it is N,O-chelated by the alkyl-substituted 2-pyridylcarboxylate group, and two water molecules complete the octahedral environment. The coordinated and solvent water molecules engage in hydrogen bonding with the acceptor O atom of the carboxylate group to furnish a two-dimensional network motif. Three atoms of the butyl group are disordered, with refined site occupancies of 0.681 (8):0.319 (8).
The thermal evolution of lithosphere extending on a low‐angle detachment zone
Authors: Voorhoeve HERMAN , Houseman GREG
Published: November 2007

Abstract Expressions are obtained for temperature as a function of depth, and for surface elevation and surface heat flow using a simplified model to represent lithosphere extending on a low‐angle detachment surface. The geometry of the resulting basin is determined by the dip of the detachment surface φ and the original thickness of the crust, h. For small extension the width of the basin is h/tan φ and with increasing extension the width of the basin cannot exceed 2h/tan φ before sea‐floor spreading begins. The asymmetry of heat flow and subsidence profiles across the basin is described and the predictions of the model are compared with those of the model for uniform extension by pure shear. The amplitude of thermal subsidence for the detachment‐zone model is typically half as great as for the pure‐shear model with the same extension factor. As the total subsidence is the same for each model the initial subsidence is correspondingly greater for the detachment‐zone model. The time‐integrated anomalous heat flow in the detachment‐zone model is also approximately half that in the pure‐shear model.
Listric extensional fault systems ‐ results of analogue model experiments
Authors: Ellis P. G. , McClay K. R.
Published: November 2007

Abstract Analogue models are a powerful tool for investigating progressive deformation in extensional fault systems. This paper presents exciting new insights into the progressive evolution of hanging wall structures in listric extensional terranes. Analogue models, scaled to simulate deformation in a sedimentary sequence, were constructed for simple listric and ramp/flat listric extensional detachments. For each detachment geometry homogeneous sand, sand/mica and sand/clay models were used to simulate respectively, deformation of isotropic sediments, of anisotropic sediments and of sedimentary sequences with competency contrasts.

Roll‐over anticlines with geometrically necessary crestal collapse graben structures are characteristic of the steepening‐upwards segments of listric extensional fault systems in all of our models. With progressive deformation, crestal collapse grabens show hanging wall nucleation of new faults. Variations in graben size, amount of fault rotation and throw, are dependent on detachment curvature and amount of extension. Individual faults and associated fault blocks may significantly change shape during extension. Complex and apparently conjugate fault arrays are the result of superposition of successive crestal collapse grabens.

Ramp/flat listric extensional fault systems are characterized by a roll‐over anticline and a crestal collapse graben system associated with each steepening‐upwards segment of the detachment and a ramp zone consisting of a hanging wall syncline and a complex deformation zone with local reverse faults. The roll‐over anticlines and crestal collapse graben are similar in geometry to those formed in simple listric extensional systems.

The models demonstrate that the geometry of the detachments exerts a fundamental control on the evolution of hanging wall structures. Analysis of particle displacement paths for these experiments provides new insights into the mechanical development of roll‐over anticlines. Two general models for deformation above simple listric and ramp/flat listric extensional detachments have been erected.
Mid‐Jurassic through mid‐Cretaceous extension in the Central Graben of the North Sea ‐ part 2: estimates from faulting observed on a seismic reflection line
Authors: Sclater JOHN G. , Shorey MARK D.
Published: November 2007

Abstract We present an interpretation of the structure and faulting of an industry multichannel line across the Central North Sea Graben. We observe substantial faulting between the mid‐Jurassic and mid‐Cretaceous and on the base Zechstein (salt) reflector. To estimate the extension from these faults we consider movement along both planar and curved faults. We demonstrate that summing the heave (the horizontal displacement) overestimates the time measure of elongation for planar, ‘domino‐type’, faulting. However, for high‐angle normal faults and up to 70% extension (β= 1.7) the heave only overestimates the extension by 13%. In the absence of other information, summing the heave provides a useful estimate of extension in the case of domino‐type faulting. For curved ‘listric’ faults the heave is only a true measure of the elongation if the antithetic faulting which removes the voids is vertical. Antithetic movement along inclined shear planes implies significantly more extension. We used the two models; of faulting to introduce progressively greater amounts of internal deformation in the crustal rocks and sediments to attempt to reconcile the estimate of extension necessary to give the observed subsidence and that given by analysing the faults visible on the seismic line. Estimates of extension obtained by allowing antithetic faulting along inclined shear planes are consistent with the range of estimates necessary to account for the post‐mid‐Jurassic subsidence. The estimates for the prior mid‐Jurassic faulting are still substantially less than those necessary to explain the subsidence. However, this is not of major concern as there are many reasons as to why analysis of the faulting should underestimate the pre mid‐Jurassic extension. Our interpretation of the seismic line implies curved faults bottoming in the lithologically weak Zechstein salt. These faults are decoupled from the region below and, hence, do not reflect the geometry of the faulting in the basement.