共查询到20条相似文献,搜索用时 31 毫秒
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L. Orus Y. Sainz S. Perez A. M. Oficialdegui J. Martinez B. Lasheras J. Del Rio A. Monge 《ChemInform》2002,33(39):164-164
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Jairo Quiroga Jaime Glvez Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(8):915-919
In the molecules of both methyl (1RS,3SR,3aRS,6aSR)‐1‐methyl‐3‐(3‐methyl‐1‐phenyl‐1H‐pyrazol‐4‐yl)‐4,6‐dioxo‐5‐phenyloctahydropyrrolo[3,4‐c]pyrrole‐1‐carboxylate, C25H24N4O4, (I), and methyl (1RS,3SR,3aRS,6aSR)‐5‐(4‐chlorophenyl)‐1‐methyl‐3‐(3‐methyl‐1‐phenyl‐1H‐pyrazol‐4‐yl)‐4,6‐dioxooctahydropyrrolo[3,4‐c]pyrrole‐1‐carboxylate, C25H23ClN4O4, (II), the two rings of the pyrrolopyrrole fragment are both nonplanar, with conformations close to half‐chair forms. The overall conformations of the molecules of (I) and (II) are very similar, apart from the orientation of the ester function. The molecules of (I) are linked into sheets by a combination of an N—H...π(pyrrole) hydrogen bond and three independent C—H...O hydrogen bonds. The molecules of (II) are also linked into sheets, which are generated by a combination of an N—H...N hydrogen bond and two independent C—H...O hydrogen bonds, weakly augmented by a C—H...π(arene) hydrogen bond. 相似文献
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Ewa Rozycka‐Sokolowska Andrzej Borowski Bernard Marciniak 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(6):o209-o211
The structure of the title compound, C6H6OS, exhibits a flip‐type disorder of the thiophene ring [occupancy ratio = 0.848 (3):0.152 (3)], which is typical for many thiophene derivatives. The puckered thiophene ring is essentially coplanar with the plane formed by the non‐H atoms of the acetyl substituent, similar to its simple analogues, i.e. 3‐acetyl‐2‐carboxythiophene, 4‐acetyl‐3‐carboxythiophene and 3,5‐diacetyl‐2‐ethylamino‐4‐methylthiophene. In the crystal structure, molecules are connected by C—H...π hydrogen bonds, forming a sheet parallel to the (001) plane. Moreover, an inspection of the crystal lattice reveals that there are short S...O contacts connecting the molecules of adjacent sheets. Comparison of the title crystal structure with its simple 3‐methoxythiophene analogue shows a close similarity in the herringbone arrangement of molecules and in the presence of C—H...π interactions and S...O contacts. 相似文献
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Nevzat Karaday ükriye akmak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o303-o305
The title 4,4′‐disubstituted diphenyl‐1,3‐triazines, C14H15N3, (I), C12H9ClFN3, (II), and C13H12FN3, (III), each contain a triazene group (–N=N—NH–) having an extended conformation. The dihedral angles between the two benzene rings in (I), (II) and (III) are 4.3, 3.4 and 6.5°, respectively. The molecules are almost entirely planar, with maximum deviations from the mean planes of 0.1087 (2), −0.1072 (7) and 0.1401 (3) Å, respectively. In each compound, the molecules are linked by N—H⋯N hydrogen bonds to form chains and pack similarly in the crystal structures. 相似文献
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Ahmed M. El‐Agrody Fathy A. Eid Hussein A. Emam Hany M. Mohamed Ahmed H. Bedair 《ChemInform》2002,33(38):123-123
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Vladimir B. Arion Alexey A. Nazarov Christian G. Hartinger Gerald Giester Bernhard K. Keppler 《应用有机金属化学》2003,17(9):723-724
For the unsymmetrical title compound, 1‐bromo‐1′‐[(2S)‐N‐(1‐hydroxy‐3‐methylbutane‐2‐yl)]‐ferroceneamide, two independent molecules were found in the asymmetric unit. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
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Synthesis and Cytotoxicity in Vitro of N‐Aryl‐4‐(tert‐butyl)‐5‐(1H‐1,2,4‐triazol‐1‐yl)thiazol‐2‐amine
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Jiao Ye Meng‐Wu Xiao Xuan‐Qing Xie Shen‐Yi Qiu Ming‐Chong Dai Wan Li Fang Shen Ai‐Xi Hu 《中国化学会会志》2015,62(7):627-631
A series of novel N‐aryl‐4‐(tert‐butyl)‐5‐(1H‐1,2,4‐triazol‐1‐yl)thiazol‐2‐amines synthesized in a green way. H2O2‐NaBr Brominating circulatory system was used in the synthesis of the key intermediate in a mild condition. All of the target compounds were confirmed by 1H NMR and elemental analysis and tested for their cytotoxicity against two different human cancer cell lines. The cytotoxicity assay revealed that some of the title compounds showed moderate to strong cytotoxic activities. Compound 2i was the most potent compound with the IC50 values of 9 μM against Hela cells and 15 μM against Bel–7402 cells, respectively. 相似文献
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Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o217-o218
The title compound, C16H12N2S, has been synthesized by base‐catalyzed condensation of 1‐methylindole‐3‐carboxaldehyde with thiophene‐3‐acetonitrile. The product assumes an approximately planar Z configuration. The molecule has a thienyl‐ring flip disorder. 相似文献
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Alessandra Forni Julieta Gradinaru 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):o342-o344
The structure of the title S‐alkylated isothiosemicarbazide, C12H15N3OS, was determined by single‐crystal diffractometry and compared with the structures of other compounds containing the S‐alkylthiosemicarbazide moiety. Such structures cluster into two groups, according to the different orientation of the –SR group with respect to the hydrazine N atom of the thiosemicarbazide. The cis arrangement is preferred by most molecules in the solid state, in spite of the possibility of intramolecular N—H?N interactions in the opposite orientation. 相似文献
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Vijayakumar N. Sonar Sean Parkin Peter A. Crooks 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):o78-o80
(Z)‐3‐(1H‐Indol‐3‐yl)‐2‐(3‐thienyl)acrylonitrile, C15H10N2S, (I), and (Z)‐3‐[1‐(4‐tert‐butylbenzyl)‐1H‐indol‐3‐yl]‐2‐(3‐thienyl)acrylonitrile, C26H24N2S, (II), were prepared by base‐catalyzed reactions of the corresponding indole‐3‐carboxaldehyde with thiophene‐3‐acetonitrile. 1H/13C NMR spectral data and X‐ray crystal structures of compounds (I) and (II) are presented. The olefinic bond connecting the indole and thiophene moieties has Z geometry in both cases, and the molecules crystallize in space groups P21/c and C2/c for (I) and (II), respectively. Slight thienyl ring‐flip disorder (ca 5.6%) was observed and modeled for (I). 相似文献