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3-[(1-苄基-1H-1,2,3-三唑-5-基)甲基]-6-溴-2-苯基-3H-咪唑并[4,5-b]吡啶

3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)meth-yl]-6-bromo-2-phenyl-3H-imidazo[4,5-b]pyridine.

作者信息

Ouzidan Younes, Kandri Rodi Youssef, Fronczek Frank R, Venkatraman Ramaiyer, Essassi El Mokhtar, El Ammari Lahcen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o890-1. doi: 10.1107/S1600536811009123. Epub 2011 Mar 15.

Abstract

There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(22)H(17)BrN(6). The dihedral angles between the imidazo[4,5-b]pyridine mean plane and the phenyl rings are 20.4 (2) and 24.0 (2)° in the two mol-ecules. The orientation of triazoles compared to the imidazo[4,5-b]pyridine system is almost the same in both mol-ecules, with dihedral angles of 64.2 (2) and 65.1 (2)°. However, the main difference between the two mol-ecules lies in the arrangement of the phenyl groups compared to imidazo[4,5-b]pyridine in each mol-ecule. Indeed, in the first mol-ecule the dihedral angle between the plane of the phenyl ring and that of the imidazo[4,5-b]pyridine system is 67.7 (2)°, while in the second mol-ecule the plane of the phenyl ring is almost perpendicular to that of the imidazo[4,5-b]pyridine system with a dihedral angle of 86.0 (2)°.

摘要

在标题化合物C(22)H(17)BrN(6)的不对称单元中存在两个晶体学独立分子。在这两个分子中,咪唑并[4,5 - b]吡啶平均平面与苯环之间的二面角分别为20.4 (2)°和24.0 (2)°。与咪唑并[4,5 - b]吡啶体系相比,三唑的取向在两个分子中几乎相同,二面角分别为64.2 (2)°和65.1 (2)°。然而,两个分子之间的主要差异在于每个分子中苯基相对于咪唑并[4,5 - b]吡啶的排列方式。实际上,在第一个分子中,苯环平面与咪唑并[4,5 - b]吡啶体系平面之间的二面角为67.7 (2)°,而在第二个分子中,苯环平面几乎垂直于咪唑并[4,5 - b]吡啶体系平面,二面角为86.0 (2)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ccb7/3099998/57dc736192c8/e-67-0o890-fig1.jpg

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