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5-乙酰基-3-羟基-4-苯基-4,5-二氢-1H-1,5-苯并二氮杂䓬-2(3H)-酮

5-Acetyl-3-hy-droxy-4-phenyl-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one.

作者信息

Rida Mohamed, Alsubari Abdusalam, Essassi El Mokhtar, Zouihri Hafid, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3337. doi: 10.1107/S1600536811047878. Epub 2011 Nov 16.

Abstract

In the title compound, C(17)H(16)N(2)O(3), the seven-membered diazepine ring adopts a boat conformation with the hy-droxy-substituted C atom at the prow and fused benzene ring C atoms at the stern. The phenyl substituent occupies an equatorial position. The amino group of the ring system is a hydrogen-bond donor to the oxo O atom of an inversion-related mol-ecule, and the hy-droxy group is a hydrogen-bond donor to the acetyl O atom of another inversion-related mol-ecule. The two hydrogen bonds generate a ribbon motif parallel to [10[Formula: see text]] in the crystal structure.

摘要

在标题化合物C(17)H(16)N(2)O(3)中,七元二氮杂卓环呈船式构象,船头为羟基取代的C原子,船尾为稠合苯环的C原子。苯基取代基占据赤道位置。环系中的氨基是与一个反演相关分子的羰基O原子形成氢键的供体,羟基是与另一个反演相关分子的乙酰基O原子形成氢键的供体。这两个氢键在晶体结构中产生了一个平行于[10[化学式:见原文]]的带状结构单元。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/df36/3238984/4812b0e1b0d2/e-67-o3337-fig1.jpg

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