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2-(4-溴苯基)-2-甲基-2,3-二氢喹唑啉-4(1H)-酮

2-(4-Bromo-phen-yl)-2-methyl-2,3-di-hydro-quinazolin-4(1H)-one.

作者信息

Zhang Mei-Mei, Yang Ke, Wang Xiang-Shan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 14;66(Pt 5):o1069. doi: 10.1107/S1600536810012584.

DOI:10.1107/S1600536810012584
PMID:21579124
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979070/
Abstract

In the title compound, C(15)H(13)BrN(2)O, the pyrimidine ring adopts a skew boat conformation. The amino H atom forms an inter-molecular hydrogen bond with the carbonyl O atom of an adjacent mol-ecule, forming an inversion dimer. Another lone pair of electrons on the same carbonyl O atom acts as acceptor for another N-H⋯O inter-molecular hydrogen bond with a neighbouring mol-ecule, forming chains along the c axis.

摘要

在标题化合物C₁₅H₁₃BrN₂O中，嘧啶环呈扭曲船式构象。氨基H原子与相邻分子的羰基O原子形成分子间氢键，形成一个反演二聚体。同一羰基O原子上的另一对孤对电子作为与相邻分子的另一个N - H⋯O分子间氢键的受体，沿c轴形成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b326/2979070/a30c60f3ea00/e-66-o1069-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b326/2979070/98f5ed800fd2/e-66-o1069-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b326/2979070/a30c60f3ea00/e-66-o1069-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b326/2979070/98f5ed800fd2/e-66-o1069-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b326/2979070/a30c60f3ea00/e-66-o1069-fig2.jpg

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