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4-苯基-1H-1,5-苯并二氮杂卓-2(3H)-酮

4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one.

作者信息

Akkurt Mehmet, Kennedy Alan R, Younes Sabry H H, Mohamed Shaaban K, Abdelhamid Antar A

机构信息

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3356. doi: 10.1107/S160053681204651X. Epub 2012 Nov 17.

DOI:10.1107/S160053681204651X
PMID:23476191
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588955/
Abstract

In the title compound, C15H12N2O, the phenyl ring makes a dihedral angle of 32.45 (9)° with the benzene ring of the 1,5-benzodiazepin-2-one unit. The seven-membered ring adopts a boat conformation with the methyl-ene group as the prow and the fused benzene-ring C atoms as the stern. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R2(2)(8) loops. The dimers are further linked by C-H⋯O hydrogen bonds, so forming a column along the a-axis direction.

摘要

在标题化合物C₁₅H₁₂N₂O中,苯环与1,5-苯并二氮杂䓬-2-酮单元的苯环形成32.45 (9)°的二面角。七元环呈船式构象,亚甲基为船头,稠合苯环的C原子为船尾。在晶体中,通过N-H⋯O氢键对连接的反演二聚体形成R₂²(8)环。二聚体通过C-H⋯O氢键进一步连接,从而沿a轴方向形成一列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fba/3588955/3b6bdd0a2d9d/e-68-o3356-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fba/3588955/b4c508feb051/e-68-o3356-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fba/3588955/3b6bdd0a2d9d/e-68-o3356-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fba/3588955/b4c508feb051/e-68-o3356-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fba/3588955/3b6bdd0a2d9d/e-68-o3356-fig2.jpg

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A short history of SHELX.SHELX简史。
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