Miracle-dz/UniFAR-FTUs huggingface dataset:
[2-(4-Methylbenzoyl)phenyl](4-methylphenyl)methanone

The asymmetric unit of the title compound, C22H18O2, contains one half-molecule, the complete molecule being generated by the operation of a crystallographic twofold rotation axis. The carbonyl group and the two C atoms attached to it forms interplanar angles of 23.67 (7)° with the methyl-substituted phenyl ring and 50.74 (8)° with the central ring. In the crystal, molecules are linked into infinite chains along the b-axis direction by intermolecular C—H⋯O interactions, generating R 2 2(10) graph-set motifs.
8-Bromo-3,4-dihydro-2H-1,3-thiazino[2,3:2′,1′]imidazo[5′,4′-b]pyridine

The imidazopyridine ring system in the title compound, C9H8BrN3S, is almost planar [r.m.s. deviation of the C and N atoms = 0.007 (1) Å]. The S and methylene C atoms connected to the five-membered ring lie within this plane. The remaining two methylene groups of the thiazine ring are disordered over two sets of sites in a 0.817 (5):0.183 (5) ratio.
5-Fluoro-2-methyl-3-phenylsulfonyl-1-benzofuran

There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C15H11FO3S. The crystal studied was an inversion twin with a 0.21 (12):0.79 (12) domain ratio. In the crystal structure, the two independent molecules are related by a pseudo-inversion center. The dihedral angles formed by the phenyl ring and the plane of the benzofuran fragment are 80.2 (1)° in molecule A and 80.7 (1)° in molecule B. In the crystal structure, the A and B molecules are linked by aromatic π–π interactions between the furan and benzene rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.671 (7) and 3.715 (7) Å. In addition, the crystal structure also exhibits two weak non-classical intermolecular C—H⋯O hydrogen bonds.
5-Chloro-3-ethylsulfinyl-2-(4-fluorophenyl)-7-methyl-1-benzofuran

In the title compound, C17H14ClFO2S, the 4-fluorophenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 8.32 (5)°. The crystal structure features a short Cl⋯O contact [3.092 (1) Å].
(E)-3-(4-Chlorophenyl)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one

There are two independent molecules in the asymmetric unit of the title compound, C20H17ClO3, each having an E configuration about the –C=C– bond. The dihedral angles between the two benzene rings in the two molecules are 7.17 (11) and 9.82 (11)°. In both molecules, the hydroxy group is involved in an intramolecular O—H⋯O hydrogen bond.
1-Methyl-1′-(4-methylphenyl)-2′,3′,5′,6′,7′,7a’-hexahydro-1′H-dispiro[piperidine-3,2′-pyrrolizine-3′,3′′-indoline]-4,2′′-dione

The title compound, C26H29N3O2, crystallizes with two molecules in the asymmetric unit, having C—H⋯O interactions between them and resulting in a dimer characterized by an R 2 2(11) motif. These dimers are linked into an ABABAB chain via N—H⋯O, N—H⋯N and C—H⋯O built edge-fused R 1 2(5) and R 2 2(7) motifs. This chain is linked to its inversion-related partner via N—H⋯O bonds with an R 2 2(8) motif and leads to a double chain extending along the b axis characterized by an R 6 6(36) motif across the inversion centres. The methyl group of the phenyl ring and the oxindole of molecule A and B are involved in C—H⋯π interactions. One C atom of the pyrrolizine ring of molecule A and its attached H atoms show positional disorder, the major and minor components being in the ratio 0.706 (7):0.294 (7).
3-(Adamantan-1-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)-thione

In the title compound, C14H21N3S, the 1,2,4-triazole ring is nearly planar, with a maximum deviation of 0.003 (4) Å. In the crystal, molecules are linked into inversion dimers by pairs of N—H⋯S hydrogen bonds.
2-(5-Chloro-1,3-benzothiazol-2-yl)-4-methoxyphenol

In the molecule of the title compound, C14H10ClNO2S, the dihedral angle between the almost planar benzothiazole ring system [maximum deviation = 0.005 (2) Å] and the benzene ring is 1.23 (9)°. The conformation of the molecule is stabilized by an intramolecular O—H⋯N hydrogen bond, forming an S(6) ring motif. In the crystal, molecules are linked into layers parallel to the ac plane by C—H⋯O hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.7365 (12) Å].
4-Chloro-N′-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide

The asymmetric unit of the title compound, C14H9Br2ClN2O2, contains two independent molecules. Both molecules adopt an E configuration about the C=N bond. The dihedral angles between the benzene rings are 30.0 (2) and 51.6 (2)° in the two molecules. In the crystal, molecules are linked through N—H⋯O hydrogen bonds, forming chains along the b axis. In addition, there is an intramolecular O—H⋯N hydrogen bond in each molecule.
8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one

The title compound, C21H23NO3, is a phenylimine derivative of the well known anthelmintic agent α-santonin. The trans-fused cyclohexane and γ-lactone rings of the α-santonin ring system adopt chair and envelope conformations, respectively, whereas the hexadiene ring is approximately planar [maximum deviation = 0.029 (4) Å] and forms a dihedral angle of 62.30 (11)° with the benzene ring. An intramolecular O—H⋯N hydrogen bond is observed.
(E)-1-(2,4-Dichlorophenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)prop-2-en-1-one

In the title molecule, C24H16Cl2N2O, the dihedral angles between the pyrazole ring and its N- and C-bonded phenyl rings are 7.06 (10) and 53.15 (10)°, respectively. The dihedral angle between the two pendant rings is 52.32 (10)°. The molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, inversion dimers occur in which each molecule is linked to the other by two C—H⋯O hydrogen bonds to the same acceptor O atom. There are also short Cl⋯Cl contacts [3.3492 (9) Å] and C—H⋯π interactions.
2,2′-{[4,6-Bis(octylamino)-1,3,5-triazin-2-yl]azanediyl}diethanol

In the title compound, C23H46N6O2, the two hydroxy groups are located on opposite sides of the triazine ring. One of the hydroxy groups links with the triazine N atom via an intramolecular O—H⋯N hydrogen bond. Intermolecular O—H⋯N and N—H⋯O hydrogen bonding is observed in the crystal structure. π–π stacking is also observed between parallel triazine rings of adjacent molecules, the centroid–centroid distance being 3.5944 (14) Å.
2-Chloro-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]-N-methylacetamide

The title compound, C16H12ClFN2O4, crystallizes with two molecules in the asymmetric unit in which the dihedral angles between the mean planes of the two benzene rings are 65.1 (7) and 65.6 (6)°. In each molecule, the nitro group displays rotational disorder over two orientations in a 0.503 (11):0.497 (11) ratio and the Cl atom is disordered in a 0.432 (5):0.568 (5) ratio. In one molecule, the F atoms is statistically disordered over two positions. The crystal packing features weak intermolecular C—H⋯O and C—H⋯Cl interactions, which form a layered network.
Tetraaquabis[3-(pyridin-4-yl)benzoato-κN]cobalt(II)

In the title compound, [Co(C12H8NO2)2(H2O)4], the Co atom lies on a twofold rotation axis and has an N2O4 octahedral coordination environment formed by four O atoms of water molecules in the equatorial plane and two apical N atoms of pyridine groups. An intricate three-dimensional supramolecular network is formed by multiple O—H⋯O hydrogen bonds between the coordinated water molecules and the uncoordinated carboxylate groups.
1,2,3-Tri-O-acetyl-5-deoxy-d-ribofuranose

The title compound, C11H16O7, was obtained from the breakage reaction of the glycosidic bond of 5′-deoxy-2′,3′-diacetylinosine. The ribofuranose ring has a C2-exo, C3-endo twist configuration. No alteration of the relative configuration compared with d-(−)-ribose is observed.
4,4-Difluoro-8-(4-iodophenyl)-1,3,5,7-tetramethyl-3a-aza-4a-azonia-4-borata-s-indacene

In the title compound, C19H18BF2IN2, which is a boron–dipyrromethene (BODIPY) derivative, the BODIPY mean plane forms dihedral angles of 88.95 (4) and 78.21 (3)° with the F/B/F and 4-iodophenyl planes, respectively.
Diaqua(2,2′-bipyridine-6,6′-dicarboxylato)nickel(II)

In the title compound, [Ni(C12H6N2O4)(H2O)2], the NiII atom (site symmetry 2) displays a distorted cis-NiN2O4 octahedral coordination geometry with two N atoms and two O atoms of the tetradentate 2,2′-bipyridine-6,6′-dicarboxylate ligand in the equatorial plane and two water molecules in axial positions. The complete dianionic ligand is generated by crystallographic twofold symmetry. In the crystal, a two-dimensional supramolecular structure parallel to (001) is formed through O—H⋯O hydrogen-bond interactions between the coordinated water molecules and the O atoms of nearby carboxylate groups.
Poly[μ2-aqua-μ4-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin-1-yl}acetato)-sodium]

In the title compound, [Na(C11H11ClN3O3)(H2O)]n, there are two independent NaI ions, one of which lies on an inversion center and is coordinated in a slightly distorted octahedral environment. The other NaI ion lies on a twofold rotation axis and is cooordinated in a slightly distorted trigonal–bipyramidal coordination environment. In the organic ligand, the imidazolidine ring adopts a half-chair conformation. The NaI ions bridge organic ligands and water molecules, forming a two-dimensional structure parallel to (100). There are intermolecular O—H⋯O and weak C—H⋯O hydrogen bonds within the two-dimensional structure.
4-Diphenylphosphanyl-1,5-naphthyridine

The asymmetric unit of the title compound, C20H15N2P, contains two independent molecules with similar structures. The 1,5-naphthyridine ring system is nearly planar, with maximum deviations of 0.010 (3) and 0.012 (3) Å; its mean plane is oriented with respect to the two phenyl rings at 79.69 (12) and 84.00 (10)° in one molecule, and at 74.25 (12) and 82.05 (11)° in the other. The two phenyl rings are twisted with respect to each other with a dihedral angle of 75.96 (14)° in one molecule and 86.30 (13)° in the other.
3,22-Dioxa-11,14-diazapentacyclo[12.8.0.02,11.05,10.015,20]docosa-5(10),6,8,15(20),16,18-hexaene-4,21-dione

In the title compound, C18H14N2O4, the piperazine ring adopts a chair conformation and the dihedral angle between the aromatic rings is 13.09 (9)°. In the crystal, molecules are linked along the c axis by C—H⋯π and N⋯π [H(N)–centroid distances = 2.8030 (2) and 3.376 (2) Å] interactions between neighbouring molecules.
4-Amino-3,5-dichlorobenzenesulfonamide

In the title compound, C6H6Cl2N2O2S, the O atoms of the sulfonamide group lie on one side of the benzene ring and the amino group lies on the opposite side. An intermolecular N—H⋯Cl interaction occurs. In the crystal, adjacent molecules are linked by N—H⋯O hydrogen bonds, forming a three-dimensional structure with supporting π–π stacking interactions [centroid–centroid distance = 3.7903 (12) Å]. A short Cl⋯Cl contact [3.3177 (10) Å] also occurs.
12-Benzoyl-2,3,5,6,9,10,11,12-octa­hydro-8H-1,4,7,12-benzotrioxa­aza­cyclo­tetradecine

Incorporation of N-donor atoms into the macrocyclic framework of crown ethers gives aza-crown analogues which can display increased binding strength and selectivity towards transition and post-transition metal ions (Bradshaw et al., 1996). We have reported the preparation of a range of benzoaza-crown ethers by a protocol involving reductive cyclization of nitroarenes bearing aldehyde-containing side chains (Ventrice et al., 1999, 2001). An X-ray structure determination of the benzoyl derivative, (I), was undertaken to establish the conformation of this compound (Fig. 1).
(3E,5E)-3,5-Bis(naphthalen-1-ylmethylidene)piperidin-4-one

In the title compound, C27H21NO, the piperidine ring adopts a chair conformation. The mean plane through the piperidine ring makes dihedral angles of 49.27 (5) and 63.07 (5)° with the naphthalene ring systems. In the crystal, molecules are linked into dimers via pairs of intermolecular C—H⋯O interactions, generating ten-membered R 2 2(10) ring motifs. C—H⋯π interactions further stabilize the crystal structure.
5,6-Dimethyl-4-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-amine

In the title molecule, C12H12N4S, the thiophene ring is disordered over two orientations with a refined site-occupancy ratio of 0.777 (4):0.223 (4). The pyrazolopyridine ring system is essentially planar with an r.m.s. deviation of 0.0069 (3) Å and makes dihedral angles of 82.8 (2) and 72.6 (5)°, respectively, with the major and minor components of the thiophene ring. In the crystal, molecules are linked into a chain along the a axis by a pair of N—H⋯N(pyrazole) hydrogen bonds and a pair of N—H⋯N(pyridine) hydrogen bonds, both having a centrosymmetric R 2 2(8) graph-set motif. A C—H⋯π interaction is also present.
2,2′-Diethoxy-4,4′-[(E,E)-hydrazinediylidenebis(methanylylidene)]diphenol

The complete molecule of the title compound, C18H20N2O4, is generated by inversion symmetry. The conformation around the C=N bond is E. With the exception of the ethoxy substituent, the molecule is essentially planar with an r.m.s. deviation of 0.0455 Å. In the crystal, molecules are linked by O—H⋯N hydrogen bonds into a two-dimensional supramolecular network parallel to the bc plane.
5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide

The title compound, C15H20O3, a sesquiterpene lactone, was isolated from the aerial parts of Carpesium minus Hemsl. (Compositae). The molecule is composed of three rings, with the two cyclohexane rings in chair conformations and the cyclopentane ring adopting a twist conformation. The A/B ring junction is trans-fused. The absolute configuration shown has been arbitrarily assigned. In the crystal, molecules are linked into [100] chains by O—H⋯O hydrogen bonds.
5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2(3H)-one

The title compound, C9H7FN2O4, was isolated during a manual crystallization screen on 5-fluoroisatin (5-fluoroindoline-2,3-dione). Hydrogen-bonded ribbons of the oxindole are formed through pairs of N-H center dot center dot center dot O and O-H center dot center dot center dot O interactions. These ribbons then pack parallel to (09 (2) over bar) and (091) such that a herring-bone motif is established.
6-Bromo-N-(6-bromopyridin-2-yl)-N-[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)phenyl]pyridin-2-amine

In the title molecule, C22H15Br2N3O2S, the central benzene ring forms dihedral angles of 12.39 (17), 56.66 (17) and 74.71 (19)°, respectively, with the mean planes of the thiophene and two pyridine rings. The dioxane ring is in a half-chair conformation. An intramolecular C—H⋯O hydrogen forms an S(6) ring. The amine N atom is sp 2-hybridized.
2,2′-Bis(ferrocenylmethyl)-5,5′-(m-phenylene)di-2H-tetrazole

In the title compound, [Fe2(C5H5)2(C20H16N8)], one of the unsubstituted cyclopentadiene (Cp) rings is disordered over two positions, with site-occupancy factors of 0.609 (19) and 0.391 (19). The dihedral angle formed by the benzene ring with the tetrazole rings are 51.86 (15) and 3.76 (11)°. In the crystal structure, centrosymmetrically related molecules are linked into dimers by intermolecular C—H⋯N hydrogen-bonding interactions.
2-Amino-6-(piperidin-1-yl)-4-p-tolylpyridine-3,5-dicarbonitrile

In the title compound, C19H19N5, the piperidine ring adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.039 (2) Å for a C atom substituted with a carbonitrile group. The mean plane of the central pyridine ring makes the dihedral angles of 37.90 (14) and 56.10 (12)° with the piperidine and benzene rings, respectively. In the crystal, molecules are linked via N—H⋯N and C—H⋯N hydrogen bonds, forming chains along [101], and enclosing R 2 2(17) ring motifs. The chains are linked by further C—H⋯N hydrogen bonds, forming two-dimensional networks lying parallel to (10-1), and enclosing inversion dimers with R 2 2(20) ring motifs.
(E)-3-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-1-yl]prop-2-enal

In the title molecule, C20H18N2O3, the pyrazole ring forms a dihedral angle of 2.2 (1)° with its methoxyphenyl substituent and a dihedral angle of 67.2 (1)° with the benzene substituent on the propenal unit. In the crystal, molecules are connected by weak C—H⋯O hydrogen bonds, forming R 2 2(26) and R 2 2(28) cyclic dimers that lie about crystallographic inversion centres. These dimers are further linked through C—H⋯O and C—H⋯N hydrogen bonds, forming C(8), C(9), C(10) and C(16) chain motifs. These primary motifs are further linked to form secondary C 2 2(15) chains and R 2 2(18) rings.
1,4-Bis[2-(1,3-benzothiazol-2-yl)phenoxy]butane

The molecule of the title compound, C30H24N2O2S2, adopts a transoid conformation consistent with the inversion centre located at the mid-point of the central C—C single bond, resulting in one half molecule in the asymmetric unit. The dihedral angle between the coplanar benzothiazole ring system and the benzene ring is 11.06 (7)°. In the crystal structure, molecules are linked by weak intermolecular π–π interactions between thiazole and benzene rings to form a three-dimensional network.
3-(2-Bromoacetyl)-6-fluoro-2H-chromen-2-one

The non-H atoms of the title compound, C11H6BrFO3, are essentially coplanar (r.m.s. deviation for all non-H atoms = 0.074 Å). In the crystal, the molecules are linked by C—H⋯O and C—H⋯Br interactions.
(E)-N-[(1,3-Dihydronaphtho[2,3-c]furan-4-yl)phenylmethylene]aniline

The title compound, C25H19NO was synthesized by a Pd-catalysed intramolecular Diels–Alders reaction. The dihedral angle between the two benzene rings is 82.33 (5)° and the dihedral angles between the hydronaphtho[2,3-c]furan plane and the two benzene rings are 89.50 (3) and 77.64 (2)°. The O atom is displaced by 0.5929 (3) Å from the hydronaphtho[2,3-c]furan plane.
(E)-4-Amino-N′-(5-chloro-2-hydroxybenzylidene)benzohydrazide

The title compound, C14H12ClN3O2, displays an E conformation with respect to the C=N double bond. The dihedral angle between the benzene rings is 41.3 (5)°. The molecular structure is stabilized by an intramolecular O—H⋯N hydrogen bond. In the crystal, N—H⋯O and weak N—H⋯Cl hydrogen bonds link the molecules into a three-dimensional architecture. In addition, there are weak C—H⋯π stacking interactions.
1-(Thiophen-2-yl)-N-(4-{(E)-[(thiophen-2-yl)methyl]iminomethyl}benzylidene)methanamine

The title compound C18H16N2S2, crystallizes with two independent half-molecules in the asymmetric unit, in one of which the thiophene rings are disordered in a 0.67:0.33 ratio. Each independent molecule lies across a crystallographic centre of symmetry. The dihedral angle between central (half) benzene ring and the thiophene ring is 11.82°.
1-Benzyl-5-ethyl-5-hydroxy-1H-pyrrol-2(5H)-one

The title compound, C13H15NO2, was obtained as a by-product in the Grignard reaction of malimide. The dihedral angle between the five-memebred ring (r.m.s. deviation = 0.005 Å) and the benzene ring is 67.20 (14)°. The benzene ring and the ethyl chain lie to the same side of the five-membered ring. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, generating C(6) chains propagating in [010].
2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78 (16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860 (2) and 0.140 (2). In the crystal, molecules are linked into a chain along the b-axis direction by weak C—H⋯O hydrogen bonds. The chains are further linked by C—H⋯π interactions, forming layers parallel to the bc plane.
2,2,2-Trifluoro-1-[3-(2,2,2-trifluoroacetyl)azulen-1-yl]ethanone

There are two molecules in the asymmetric unit of the title compound, C14H6F6O2, in which the azulene systems possess an almost planar geometry with maximum deviations of 0.0438 (15) and 0.0396 (14) Å. Besides intra- and intermolecular C—H⋯O and C—H⋯F interactions, the structure displays three F⋯F contacts [2.793 (2), 2.8820 (17) and 2.9181 (16) Å]. Furthermore, a characteristic azulene π-stacking is observed with an alternating sequence of electron-rich five-membered rings and electron-deficient seven-membered rings [centroid–centroid distances = 3.5413 (12), 3.6847 (12), 3.5790 (12) and 3.7718 (12) Å].
4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione

In the title triazole compound, C14H20N4S, the dihedral angle between the triazole and benzene rings is 83.29 (11)°. The methine H atom and two methyl groups of the isobutyl group are disordered over two sites with occupancies of 0.684 (9) and 0.316 (9). In the crystal structure, N—H⋯S hydrogen bonds link the molecules into chains running along the b axis. These chains are cross-linked into a two-dimensional network parallel to the ab plane by C—H⋯S hydrogen bonds.
(2E)-3-[4-(Benzyloxy)phenyl]-1-(pyridin-3-yl)prop-2-en-1-one

The title compound, C21H17NO2, exists in an E conformation with respect to the C=C bond. The pyridine ring forms dihedral angles of 5.57 (7) and 82.30 (9)°, respectively, with the central benzene ring and the terminal phenyl ring. The dihedral angle between the benzene and phenyl rings is 87.69 (8)°. No significant intermolecular interactions are observed.
5-(4-Hexyl-1H-1,2,3-triazol-1-yl)-2,1,3-benzoxadiazole

The title compound, C14H17N5O, a 1,2,3-triazole derivative of benzoxadiazole (C14H17N5O), was synthesized via Cu-catalysed azide–alkyne cycloaddition (CuAAC) from the corresponding n-octyne and 4-azidobenzoxadiazole. The benzoxadiazole and triazole rings show a roughly planar orientation [dihedral angle between the ring planes = 12.18 (5)°]. The alkane chain adopts a zigzag conformation, which deviates from the central triazole ring by 20.89 (6)°. These two torsion angles result in an overall twist to the structure, with a dihedral angle of 32.86 (7)° between the benzoxadiazole group and the hexyl chain. The crystal structure features C—H⋯N hydrogen bonds leading to chains propagating along [2-10] and offset parallel stacking interactions of the triazole and benzoxadiazole rings. The centroid of the extended π-system formed by the benzoxadiazole and triazole rings (14 atoms total) was calculated; the centroid–centroid distance was 4.179 Å, interplanar separation was 3.243 Å, and the resulting offset was 2.636 Å.
2,10-Dihydroxy-13-methyl-13-azatetracyclo[9.3.1.02,10.03,8]pentadeca-3(8),4,6-triene-9,15-dione

In the title compound, C15H15NO4, the n-methylpiperidone ring adopts a chair conformation and both five-membered rings adopt a twist conformation. An intramolecular O—H⋯O hydrogen bond is observed. Inversion-related molecules are linked into R 2 2(10) dimers by pairs of O—H⋯O hydrogen bonds. The crystal structure is further stabilized by C—H⋯O hydrogen bonds.
1-(3,4-Dimethylbenzylidene)-4-ethylthiosemicarbazide

The title compound, C12H17N3S, was prepared by the reaction of 4-ethylthiosemicarbazide and 3,4-dimethylbenzaldehyde. The dihedral angle between the thiourea unit and the benzene ring is 7.09 (8)°. In the crystal, inversion dimers linked by pairs of N—H⋯S hydrogen bonds occur.
2-Chloro-8-methyl-3-[(pyrimidin-4-yloxy)methyl]quinoline

In the title compound, C15H12ClN3O, the quinoline ring system is essentially planar, with a maximum deviation of 0.017 (1) Å. The crystal packing is stabilized by π–π stacking interactions between the quinoline rings of adjacent molecule, with a centroid–centroid distance of 3.5913 (8) Å. A weak C—H⋯π contact is also observed between molecules.