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(E)-4-[(1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)亚氨基甲基]-2-甲氧基苯基 4-溴苯磺酸盐

(E)-4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-meth-oxy-phenyl 4-bromo-benzene-sulfonate.

作者信息

Duan Zhong-Yu, Ma Guo-Li, Yang Li-Ping

机构信息

College of Chemical Engineering, Hebei University of Technology, Tianjin 300130, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1039. doi: 10.1107/S1600536812010057. Epub 2012 Mar 10.

DOI:10.1107/S1600536812010057
PMID:22589909
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344000/
Abstract

In the title compound, C(25)H(22)BrN(3)O(5)S, the central benzene ring makes dihedral angles of 4.41 (10), 67.09 (9) and 62.05 (10)°, respectively, with the pyrazolone, bromo-benzene and terminal phenyl rings. The dihedral angle between the pyrazolone and phenyl rings is 57.75 (11)°. In the crystal, two pairs of C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers. A weak intra-molecular C-H⋯O hydrogen bonds is also observed.

摘要

在标题化合物C(25)H(22)BrN(3)O(5)S中，中心苯环与吡唑啉酮环、溴苯环和末端苯环分别形成的二面角为4.41 (10)°、67.09 (9)°和62.05 (10)°。吡唑啉酮环和苯环之间的二面角为57.75 (11)°。在晶体中，两对C—H⋯O氢键将分子连接成反向二聚体。还观察到一个弱的分子内C—H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21ca/3344000/fef2a1a0b886/e-68-o1039-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21ca/3344000/59460131ce99/e-68-o1039-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21ca/3344000/fef2a1a0b886/e-68-o1039-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21ca/3344000/59460131ce99/e-68-o1039-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/21ca/3344000/fef2a1a0b886/e-68-o1039-fig2.jpg

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本文引用的文献

1
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Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 31;64(Pt 11):o2244. doi: 10.1107/S1600536808035034.
2
(E)-5-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino-meth-yl]-2-methoxy-phenyl 4-bromo-benzene-sulfonate.（E）-5- [（1,5-二甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基）亚氨基甲基] -2-甲氧基苯基 4-溴苯磺酸盐
Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1360. doi: 10.1107/S1600536810017198.
3
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.