bluuebunny/crossref_metadata_2025_split huggingface dataset:
N‐Substituted Imines of Methyl Trifluoropyruvate in the Synthesis of 5‐Amino‐5‐trifluoromethylhydantoins (V).
Authors: Aksinenko A. Yu. , Goreva T. V. , Epishina T. A. , Pushin A. N. , Sokolov V. B. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Erlenmeyer Azlactone Synthesis with Aliphatic Aldehydes under Solvent‐Free Microwave Conditions.
Authors: Chandrasekhar Sosale , Karri Phaneendrasai 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Efficient Approach for the Synthesis of Novel Functionalized Isoxazolines from Limonene.
Authors: Feddouli Amal , Itto My Youssef Ait , Ali Mustapha Ait , Hasnaoui Aissa , Riahi Abdelkhalek 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Microwave‐Assisted Expeditious Synthesis of Novel Carbazole‐Based 1,3,4‐Oxadiazoles.
Authors: Li Zheng , Xing Yulin , Ma Xuelin , Xiao Shuxiu , Lu Zhong 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of 2,3‐Dihydrothiopyran‐4‐ones from 3‐Oxo‐1‐pentene‐4‐ynes.
Authors: Rosiak Anna , Mueller Ralf M. , Christoffers Jens 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
An Efficient and Direct Synthesis of New 2,2′‐Bipyridine Derivatives via Microwave‐Assisted Three‐Component Reaction.
Authors: Tu Shujiang , Jiang Bo , Zhang Yan , Zhang Junyong , Jia Runhong , Yao Changsheng 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A Simple and Facile Solventless Procedure for the Cyclization of 2′‐Amino‐ and 2′‐Hydroxy‐chalcones Using Silica‐Supported Sodium Hydrogen Sulfate as Heterogenous Catalyst.
Authors: Kumar K. Hemanth , Perumal P. T. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of New Quinoline Derivatives.
Authors: Toth Judit , Blasko Gabor , Dancso Andras , Toke Laszlo , Nyerges Miklos 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
4,5‐Dihydrothiazoline — A New Protecting and Activating Group for Generation of α‐Aminocarbanions of Secondary Amines.
Authors: Singh Kamal Nain , Singh Paramjit , Kaur Amarjit 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Pictet—Spengler Reactions Catalyzed by Broensted Acid‐Surfactant‐Combined Catalyst in Water or Aqueous Media.
Authors: Saito Akio , Numaguchi Junko , Hanzawa Yuji 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
An Improved and Benign Synthesis of 9,10‐Diarylacridine‐1,8‐dione and Indenoquinoline Derivatives from 3‐Anilino‐5,5‐dimethylcyclohex‐2‐enones, Benzaldehydes, and 1,3‐Dicarbonyl Compounds in an Ionic Liquid Medium.
Authors: Wang Xiang‐Shan , Zhang Mei‐Mei , Jiang Hong , Shi Da‐Qing , Tu Shu‐Jiang , Wei Xian‐Yong , Zong Zhi‐Min 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of Chiral Non Racemic Indolizidin‐3‐ones as Peptidomimetic Scaffold.
Authors: Halie Delphine , Perard‐Viret Joelle , Royer Jacques 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Molecular Structure of 3,7‐Dimethyl‐2‐ [N‐(4‐methylpyridyl‐2)‐4‐hydroxy‐3‐methyl‐5‐oxopyrrolen‐3‐yl‐2]imidazo [1,2‐a]pyridine.
Authors: Guseinov F. N. , Burangulova R. N. , Mukhamedzyanova E. F. , Strunin B. P. , Sinyashin O. G. , Litvinov I. A. , Gubaidullin A. T. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Reaction of Enamino Amides in the 1,2,3,4‐Tetrahydrobenzo[f]isoquinoline Series with Acryloyl Chloride.
Authors: Polygalova N. N. , Mikhailovskii A. G. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of Benzomorphan Analogues by Intramolecular Buchwald—Hartwig Cyclization.
Authors: Khartulyari Anton S. , Maier Martin E. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Atypical Oxidation Reaction by Thionyl Chloride: Easy Two‐Step Synthesis of N‐Alkyl‐1,4‐dithiines.
Authors: Valla Alain , Cartier Dominique , Zentz Frederic , Labia Roger 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Regioselective N‐ and O‐Alkylation of 1H‐ or 3H‐[1,2,3]Triazolo[4,5‐d]pyrimidine‐5,7(4H,6H)‐diones (8‐Azaxanthines) and Transformation of Their 3‐Alkyl Derivatives into 1‐Alkyl Isomers.
Authors: Islam Rafiqul , Nagamatsu Tomohisa 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Evaluation of 1‐Arylsulfonyl‐3‐piperazinone Derivatives as Factor Xa Inhibitors. Part 5. A Series of New Derivatives Containing a Spiro[imidazo[1,2‐a]pyrazine‐2(3H),4′‐piperidin]‐5(1H)‐one Scaffold.
Authors: Saitoh Fumihiko , et al. et al. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Tandem of Nucleophilic Substitution of Hydrogen and Cyclocondensation with Participation of the Nitro Group in the Synthesis of Fluorine‐Containing 3‐Amino‐1,2,4‐benzotriazines.
Authors: Zhumabaeva G. A. , Kotovskaya S. K. , Perova N. M. , Charushin V. N. , Chupakhin O. N. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of Novel Substituted Diaryl‐1,4‐diazepines
Authors: Ramajayam R. , Giridhar Rajani , Yadav M. R. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of 7‐Sulfamoyl‐Substituted 2‐Oxo‐2,3,4,5‐tetrahydro‐1H‐benzo[b]azepines.
Authors: Dorogov Mikhail V. , Ivanovsky Sergey A. , Khakhina Maria Y. , Kravchenko Dmitry V. , Tkachenko Sergey E. , Ivachtchenko Alexandre V. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis of New Substituted 4,5‐Dihydro‐3H‐spiro[1,5]benzoxazepine‐2,4′‐piperidine and Biological Properties.
Authors: Laras Younes , Pietrancosta Nicolas , Moret Vincent , Marc Sylvain , Garino Cedrik , Rolland Amandine , Monnier Valerie , Kraus Jean‐Louis 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A Novel Transmetalation of Triarylstibanes into Arylboronate: Boro‐Induced Ipso‐Deantimonation and Its Theoretical Calculation.
Authors: Yasuike Shuji , Nakata Kazuhide , Qin Weiwei , Kaji Toshiyuki , Kurita Jyoji 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
The Formation of Dialkyl Isobenzofuran‐1‐ylphosphonates by Lewis Acid Promoted Reaction of o‐Phthalaldehyde with Trialkyl Phosphites.
Authors: Yamana Kenji , Ibata Toshikazu , Nakano Hirofumi 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Sesquiterpene Coumarins from the Roots of Ferula sinkiangensis and Ferula teterrima.
Authors: Yang Jun‐Rong , An Zheng , Li Zhi‐Hong , Jing Song , Qin Hai‐Lin 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Antitumor Activity of a Fluorinated Analogue of Medroxyprogesterone Acetate (MPA), 9α‐Fluoromedroxyprogesterone Acetate (FMPA).
Authors: Murata Natsuko , et al. et al. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Improvements to the Synthesis of Isofagomine, Noeuromycin, Azafagomine, and Isofagomine Lactam, and a Synthesis of Azanoeuromycin and “Guanidine” Isofagomine.
Authors: Meloncelli Peter J. , Stick Robert V. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A Facile Synthesis of N‐Acetylneuraminic Acid Glycal.
Authors: Kulikova Nadezhda Yu. , Shpirt Anna M. , Kononov Leonid O. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Improved Synthesis of the Tetrasaccharide Repeat Unit of the O‐Antigen Polysaccharide from Escherichia coli O77.
Authors: Lee Bo‐Young , Baek Ju Yuel , Jeon Heung Bae , Kim Kwan Soo 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Total Synthesis of Indole Alkaloid (.+‐.)‐Subincanadine F (I) via SmI2‐Mediated Ring Opening and Bridge‐Forming Mannich Reaction.
Authors: Gao Peng , Liu Yanqin , Zhang Lei , Xu Peng‐Fei , Wang Shaowu , Lu Yong , He Mingyuan , Zhai Hongbin 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Enantioselective Total Synthesis of (+)‐Homochelidonine (IV) by a PdII‐Catalyzed Asymmetric Ring‐Opening Reaction of a meso‐Azabicyclic Alkene with an Aryl Boronic Acid.
Authors: McManus Helen A. , Fleming Matthew J. , Lautens Mark 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Dihydroxylation of 2‐Vinylaziridine: Efficient Synthesis of D‐ribo‐Phytosphingosine.
Authors: Yoon Hyo‐Jae , Kim Yong‐Woo , Lee Baeck Kyoung , Lee Won Koo , Kim Yongeun , Ha Hyun‐Joon 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
First Synthesis of trans‐ and cis‐Dendrochrysanines.
Authors: Konno Hiroyuki , Kusumoto Sayako , Kanai Sotaro , Yamahana Yasuyuki , Nosaka Kazuto , Akaji Kenichi 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Stereoselective Formal Synthesis of the Potent Proteasome Inhibitor Salinosporamide A (I).
Authors: Caubert Virginie , Masse Julien , Retailleau Pascal , Langlois Nicole 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Isolation and Structure Elucidation of Neofusapyrone from a Marine‐Derived Fusarium Species, and Structural Revision of Fusapyrone and Deoxyfusapyrone.
Authors: Hiramatsu Fuminori , Miyajima Takeshi , Murayama Tetsuya , Takahashi Koetsu , Koseki Takuya , Shiono Yoshihito 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
A New Hydrogenated Azaphilone Sch 725680 from Aspergillus sp.
Authors: Yang Shu‐Wei , Chan Tze‐Ming , Terracciano Joseph , Patel Reena , Patel Mahesh , Gullo Vincent , Chu Min 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Efficient Synthesis of Biologically Active (.+‐.)‐Confluentin and (.+‐.)‐Daurichromenic Acid.
Authors: Lee Yong Rok , Wang Xue , Noh Seok Kyun , Lyoo Won Seok 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthesis and Biological Activity of 8‐Azapurine and Pyrazolo[4,3‐d]pyrimidine Analogues of Myoseverin.
Authors: Krystof Vladimir , Moravcova Daniela , Paprskarova Martina , Barbier Pascale , Peyrot Vincent , Hlobilkova Alice , Havlicek Libor , Strnad Miroslav 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Structure—Activity Relationships of Xanthocillin Derivatives as Thrombopoietin Receptor Agonist.
Authors: Yamaguchi Takahiro , Miyake Yumi , Miyamura Atsushi , Ishiwata Norihisa , Tatsuta Kuniaki 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Organometallics of the Group 13 M—M Bond (M: Al, Ga, In) and the Concept of Metalloaromaticity
Authors: Wang Yuzhong , Robinson Gregory H. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Alternatives to Allylstannanes for Remote Stereocontrol
Authors: Booth Matthew , Brain Christopher , Castreno Pilar , Donnelly Sam , Dorling E. Kate , Germay Olivier , Hobson Lindsay , Kumar Naresh , Martin Nathaniel , Moore Christopher , et al. et al. 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Christopher Foote′s Discovery of the Role of Singlet Oxygen [1O2 (1Δg)] in Photosensitized Oxidation Reactions
Authors: Greer Alexander 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Preparation of Novel Optically Active Carboxylic Acids and Application as Chiral Dopants for Nematic Liquid Crystals
Authors: Shitara Hiroaki , Aoki Yoshio , Nohira Hiroyuki , Hirose Takuji 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Synthetic Strategies and Structural Aspects of Metal‐Mediated Multiporphyrin Assemblies
Authors: Iengo Elisabetta , Zangrando Ennio , Alessio Enzo 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Chemical Constituents of Plants from the Genus Symplocos
Authors: Huo Chang‐Hong , Shen Li‐Ru , Zhao Yu‐Ying , Liang Hong 
Published: April 2007

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Auslegung von Rührfermentern – Berücksichtigung der nicht‐Newton'schen Eigenschaften von Fermentationslösungen
Authors: Henzler H.‐J. 
Published: April 2007

AbstractDie Korrelation bzw. Berechnung verfahrenstechnischer Kennwerte für die Auslegung von Fermentern bei nicht‐Newton'schen Lösungen erfolgt in der Regel mit den Auslegungsunterlagen für Newton'sche Flüssigkeiten, wobei für die Viskosität eine repräsentative Viskosität verwendet wird. In der vorliegenden Arbeit werden die verfahrenstechnischen Operationen Leistungseintrag bei laminarer Strömung sowie der Wärmetransport und Stofftransport gasförmig/flüssig bei turbulenter Strömung behandelt, um das bisherige Vorgehen kritisch zu beleuchten. Ausgehend von den Viskositätsfunktionen der strukturviskosen Flüssigkeiten werden dimensionslose Kennzahlen abgeleitet, die zur Beschreibung der verschiedenen Vorgänge erforderlich sind. An Hand der Korrelation experimenteller Ergebnisse aus Labor‐ und Großanlagen (V = 50 – 50000 L) erfolgen anschließend die Gegenüberstellung und die Bewertung der ähnlichkeitstheoretischen Konzepte sowie der Konzepte der repräsentativen Viskosität (des Drehzahl‐ und des Leistungskonzeptes).
Experimentelle Untersuchung der Mikroskalenverdampfung in hinterschnittenen Oberflächenstrukturen
Authors: Wondra F. , Stephan P. 
Published: April 2007

AbstractZur Verbesserung des Wärmeübergangs beim Behältersieden haben sich in der industriellen Anwendung Hochleistungsverdampferrohre mit hinterschnittenen Oberflächenstrukturen etabliert. Der gute Wärmeübergang wird durch die Verdampfungsvorgänge in den hinterschnittenen Kanälen bedingt. Zur Identifikation dieser auf Mikrolängenskalen ablaufenden Vorgänge wurden mittels optischer Messverfahren die lokalen Temperaturen und die Dynamik der Phasengrenze in den Kanälen untersucht.
Preparation, Electrochemical Behavior and Electrocatalytic Activity of a Copper Hexacyanoferrate Modified Ceramic Carbon Electrode
Authors: Yu Hao , Zheng Jian‐Bin 
Published: April 2007

AbstractA copper hexacyanoferrate modified ceramic carbon electrode (CuHCF/CCE) had been prepared by two‐step sol‐gel technique and characterized using electrochemical methods. The resulting modified electrode showed a pair of well‐defined surface waves in the potential range of 0.40 to 1.0 V with the formal potential of 0.682 V (vs. SCE) in 0.050 mol·dm−3 HOAc‐NaOAc buffer containing 0.30 mol·dm−3 KCl. The charge transfer coefficient (α) and charge transfer rate constant (ks) for the modified electrode were calculated. The electrocatalytic activity of this modified electrode to hydrazine was also investigated, and chronoamperometry was exploited to conveniently determine the diffusion coefficient (D) of hydrazine in solution and the catalytic rate constant (kcat). Finally, hydrazine was determined with amperometry using the resulting modified electrode. The calibration plot for hydrazine determination was linear in 3.0×10−6–7.5×10−4 mol·dm−3 with the detection limit of 8.0×10−7 mol·dm−3. This modified electrode had some advantages over the modified film electrodes constructed by the conventional methods, such as renewable surface, good long‐term stability, excellent catalytic activity and short response time to hydrazine.
Preparation, Crystal Structure and Theoretical Calculation ofN‐(Pyrimidin‐2‐yl)‐N′‐methoxycarbonyl‐thiourea
Authors: Ren Ying‐Hui , Song Ji‐Rong , Xu Kang‐Zhen , Ma Hai‐Xia , Huang Jie , Fu Ding‐Wei , Hu Huai‐Ming 
Published: April 2007

AbstractThe compound,N‐(pyrimidin‐2‐yl)‐N′‐methoxycarbonyl‐thiourea, has been synthesized. The single crystal structure has been determined by an X‐ray diffractometer. The crystal belongs to triclinic with space groupP‐1 anda=0.72152(4) nm,b=0.8056(4) nm,c=0.90772(5) nm,α=105.141(4)°,β=94.588(4)°,γ=115.415(4)°,F(000)=220, the unit cell volumeV=0.45704(4) nm3, the molecule number in one unit cellZ=2, the absorption coefficientμ=0.333 mm−1, the calculated densityDc=1.542 g/cm3. The theoretical investigation of the title compound was carried out with B3LYP/6‐311G, HF/6‐311G and MP2/6‐311G methods, and the atomic charges and natural bond orbital analysis were also discussed.