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2-(1H-苯并咪唑-2-基)-4-硝基苯酚。

2-(1H-Benzimidazol-2-yl)-4-nitro-phenol.

作者信息

Sun Jingya, Tong Xiangdi

机构信息

College of Marine Sciences, Zhejiang Ocean University, Zhoushan 316000, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o409. doi: 10.1107/S1600536811001644.

DOI:10.1107/S1600536811001644
PMID:21523080
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051601/
Abstract

The title compound, C(13)H(9)N(3)O(3), was prepared by the reaction of 5-nitro-salicyl-aldehyde with 1,2-diamino-benzene in methanol. The whole mol-ecule is approximately planar, with a mean deviation from the plane defined by the non-H atoms of 0.0311 (4) Å, and with a dihedral angle between the benzene ring and the benzimidazole ring system of 1.1 (3)°. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, adjacent mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming centrosymmetric dimers.

摘要

标题化合物C(13)H(9)N(3)O(3)是由5-硝基水杨醛与1,2-二氨基苯在甲醇中反应制备的。整个分子近似平面状,非氢原子所定义平面的平均偏差为0.0311 (4) Å,苯环与苯并咪唑环系统之间的二面角为1.1 (3)°。分子内存在O-H⋯N氢键。在晶体中,相邻分子通过分子间N-H⋯O氢键相连,形成中心对称二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06ad/3051601/c603e096c142/e-67-0o409-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06ad/3051601/4b5e80b54f0b/e-67-0o409-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06ad/3051601/c603e096c142/e-67-0o409-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06ad/3051601/4b5e80b54f0b/e-67-0o409-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/06ad/3051601/c603e096c142/e-67-0o409-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 4;66(Pt 9):o2204. doi: 10.1107/S1600536810029971.
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(E)-2-[(3-Fluoro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol.(E)-2-[(3-氟苯基)亚氨基甲基]-4-(三氟甲氧基)苯酚
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 3;66(Pt 3):o510. doi: 10.1107/S1600536810002989.
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A chiral photochromic Schiff base: (R)-4-meth-oxy-2-[(1-phenyl-ethyl)imino-meth-yl]phenol.
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Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 9;65(Pt 10):o2381. doi: 10.1107/S1600536809035557.
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2-[(E)-2-Hy-droxy-5-(trifluoro-meth-oxy)benzyl-idene-amino]-4-methyl-phenol.2-[(E)-2-羟基-5-(三氟甲氧基)亚苄基氨基]-4-甲基苯酚
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 11;67(Pt 1):o95. doi: 10.1107/S1600536810050579.
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