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2,4-二溴-6-[(喹啉-8-基氨基)亚甲基]环己-2,4-二烯-1-酮一水合物

2,4-Dibromo-6-[(quinolin-8-yl-amino)-methyl-idene]cyclo-hexa-2,4-dien-1-one monohydrate.

作者信息

Kawamoto Keisuke, Shibahara Takashi

机构信息

Department of Chemistry, Okayama University of Science, Ridai-cho, Okayama 700-0005, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3380. doi: 10.1107/S1600536811048793. Epub 2011 Nov 19.

DOI:10.1107/S1600536811048793
PMID:22199871
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239023/
Abstract

In the title compound, C(16)H(10)Br(2)N(2)O·H(2)O, bifurcated intra-molecular N-H⋯(N,O) hydrogen bonding defines the essential planarity of the main mol-ecule: the dihedral angle between the quinoline and benzene rings is 7.53 (8)°. Inter-molecular O-H⋯O and weak C-H⋯O hydrogen bonds consolidate the crystal packing, which exhibits π-π inter-actions with a distance of 3.588 (1) Å between the centroids of the aromatic rings and short Br⋯Br contacts of 3.5757 (6) Å.

摘要

在标题化合物C(16)H(10)Br(2)N(2)O·H(2)O中，分子内的N-H⋯(N,O)分叉氢键确定了主分子的基本平面性：喹啉环和苯环之间的二面角为7.53 (8)°。分子间的O-H⋯O和弱C-H⋯O氢键巩固了晶体堆积，晶体堆积呈现出芳香环质心之间距离为3.588 (1) Å的π-π相互作用以及3.5757 (6) Å的短Br⋯Br接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/be5a/3239023/9cbb909f8428/e-67-o3380-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/be5a/3239023/9cbb909f8428/e-67-o3380-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/be5a/3239023/9cbb909f8428/e-67-o3380-fig1.jpg

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