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（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-氯苯磺酸盐

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

作者信息

Lei Tian-Xiang

机构信息

Department Of Electrical Engineering, North China Electric Power University, Baoding City, Hebei Province 071003, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2110. doi: 10.1107/S160053681202627X. Epub 2012 Jun 16.

DOI:10.1107/S160053681202627X
PMID:22798787
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393922/
Abstract

In the title compound, C(25)H(22)ClN(3)O(5)S, the two N atoms in the pyrazole ring have a pyramidal environment, with the sums of the valence angles around them being 349.3 (2) and 357.5 (2)°. The phenyl ring is twisted by 50.97 (12)° from the pyrazole mean plane. In the crystal, pairs of weak C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers.

摘要

在标题化合物C₂₅H₂₂ClN₃O₅S中，吡唑环中的两个N原子具有锥形环境，其周围价角之和分别为349.3（2）°和357.5（2）°。苯环与吡唑平均平面扭转了50.97（12）°。在晶体中，成对的弱C—H⋯O氢键将分子连接成反演二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4289/3393922/9b025a57b120/e-68-o2110-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4289/3393922/866c12a3243f/e-68-o2110-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4289/3393922/9b025a57b120/e-68-o2110-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4289/3393922/866c12a3243f/e-68-o2110-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4289/3393922/9b025a57b120/e-68-o2110-fig2.jpg

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本文引用的文献

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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.