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2-[(1H-苯并咪唑-2-基)亚氨基甲基]-4,6-二溴苯酚乙醇半溶剂化物

2-[(1H-Benzimidazol-2-yl)imino-meth-yl]-4,6-dibromo-phenol ethanol hemisolvate.

作者信息

Liu Jie, Liu Zheng, Yuan Shuai

机构信息

Key Laboratory of Nonferrous Metal Materials and Processing Technology, Department of Material and Chemical Engineering, Guilin University of Technology, Ministry of Education, Guilin 541004, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o362. doi: 10.1107/S1600536813002031. Epub 2013 Feb 9.

DOI:10.1107/S1600536813002031
PMID:23476552
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588477/
Abstract

The title compound, C14H9Br2N3O·0.5C2H5OH, crystallizes with two 2-[(1H-benzimidazol-2-yl)imino-meth-yl]-4,6-dibromo-phenol mol-ecules and one ethanol solvent mol-ecule in the asymmetric unit. The benzene and benzimidazole rings subtend dihedral angles of 4.5 (3) and 5.2 (2)° in the two mol-ecules. In the crystal, one mol-ecule presents π-π stacking with the equivalent mol-ecule related by inversion, at a distance of 3.30 Å (separation between mol-ecular mean planes). A three-dimensional network is formed through N-H⋯N, N-H⋯O and O-H⋯N hydrogen bonds.

摘要

标题化合物C14H9Br2N3O·0.5C2H5OH在不对称单元中结晶，包含两个2-[(1H-苯并咪唑-2-基)亚氨基甲基]-4,6-二溴苯酚分子和一个乙醇溶剂分子。在这两个分子中，苯环和苯并咪唑环的二面角分别为4.5(3)°和5.2(2)°。在晶体中，一个分子与通过倒反相关的等效分子呈现π-π堆积，分子平均平面之间的距离为3.30 Å。通过N-H⋯N、N-H⋯O和O-H⋯N氢键形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/0dc9e141fc2a/e-69-0o362-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/971d065d13cd/e-69-0o362-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/227bb5c60034/e-69-0o362-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/0dc9e141fc2a/e-69-0o362-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/971d065d13cd/e-69-0o362-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/227bb5c60034/e-69-0o362-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e81d/3588477/0dc9e141fc2a/e-69-0o362-fig3.jpg

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本文引用的文献

1
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Dalton Trans. 2011 Nov 21;40(43):11402-9. doi: 10.1039/c1dt10517e. Epub 2011 Aug 10.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.