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4-甲基-2,3-二氢-1H-1,5-苯并二氮杂䓬-2-酮一水合物

4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one monohydrate.

作者信息

Saber Asmaa, Zouihri Hafid, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 22;66(Pt 6):o1408. doi: 10.1107/S1600536810017885.

DOI:10.1107/S1600536810017885
PMID:21579487
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979438/
Abstract

The seven-membered fused-ring in the title compound, C(10)H(10)N(2)O·H(2)O, adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow). In the crystal, two benzodiazepinone mol-ecules are linked about a center of inversion by diazepine-carbonyl N-H⋯O hydrogen bonds. The dimers are further linked by water-diazepine O-H⋯N hydrogen bonds, forming a linear chain.

摘要

标题化合物C(10)H(10)N(2)O·H(2)O中的七元稠环呈船式构象（两个亚苯基C原子代表船尾，亚甲基C原子代表船头）。在晶体中，两个苯并二氮杂䓬酮分子通过二氮杂䓬羰基N-H⋯O氢键围绕一个反演中心相连。二聚体通过水-二氮杂䓬O-H⋯N氢键进一步相连，形成一条线性链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f6ec/2979438/f3fbe32ff5a9/e-66-o1408-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f6ec/2979438/f3fbe32ff5a9/e-66-o1408-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f6ec/2979438/f3fbe32ff5a9/e-66-o1408-fig1.jpg

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A short history of SHELX.SHELX简史。
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Acta Crystallogr Sect E Struct Rep Online. 2010 May 22;66(Pt 6):o1409. doi: 10.1107/S1600536810017897.