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3-[3-甲基-4-(4-硝基-亚苄基-氨基)-5-硫亚基-4,5-二氢-1H-1,2,4-三唑-1-基]-1,3-二苯基-丙-1-酮二氯甲烷单溶剂合物

3-[3-Methyl-4-(4-nitro-benzyl-idene-amino)-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl-propan-1-one dichloro-methane monosolvate.

作者信息

Wang Wei, Jia Wei-Min, Xu Chao, Wu Wen-Peng, Liu Qing-Lei

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3135. doi: 10.1107/S1600536811043777. Epub 2011 Oct 29.

DOI:10.1107/S1600536811043777
PMID:22220137
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247519/
Abstract

In the title compound, C(25)H(21)N(5)O(3)S·CH(2)Cl(2), the dichloro-methane solvent mol-ecule is disordered over four positions, with an occupancy ratio of 0.271 (3):0.3884 (18):0.298 (2):0.0424 (15). The 1,2,4-triazole ring makes dihedral angles of 47.3 (2)/87.3 (2) and 3.6 (2)° with the phenyl and nitro-phenyl rings, respectively. An intra-molecular C-H⋯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051 (2) Å]. Inter-molecular C-H⋯O hydrogen bonding consolidates the structure.

摘要

在标题化合物C(25)H(21)N(5)O(3)S·CH(2)Cl(2)中，二氯甲烷溶剂分子在四个位置上无序分布，占有率分别为0.271 (3):0.3884 (18):0.298 (2):0.0424 (15)。1,2,4 - 三唑环与苯环和硝基苯环的二面角分别为47.3 (2)/87.3 (2)和3.6 (2)°。分子内C - H⋯S氢键导致形成一个几乎平面的六元环[r.m.s.偏差 = 0.0051 (2) Å]。分子间C - H⋯O氢键巩固了结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6117/3247519/96ab68883ea0/e-67-o3135-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6117/3247519/208a5516b235/e-67-o3135-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6117/3247519/96ab68883ea0/e-67-o3135-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6117/3247519/208a5516b235/e-67-o3135-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6117/3247519/96ab68883ea0/e-67-o3135-fig2.jpg

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Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1794. doi: 10.1107/S1600536811023750. Epub 2011 Jun 25.
2
4,4',5,5'-Tetra-phenyl-3,3'-[methyl-idene-bis(sulfanedi-yl)]bis-(4H-1,2,4-triazole).4,4',5,5'-四苯基-3,3'-[亚甲基双(硫烷二基)]双-(4H-1,2,4-三唑)
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 20;66(Pt 11):o2814. doi: 10.1107/S1600536810040729.
3
5-Ethyl-5-methyl-4-phenyl-5H-1,2,4-triazol-3(4H)-thione.
5-乙基-5-甲基-4-苯基-5H-1,2,4-三唑-3(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2224. doi: 10.1107/S1600536810030503.
4
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Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1756. doi: 10.1107/S1600536810022695.
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Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 11;65(Pt 3):o495-6. doi: 10.1107/S1600536809003870.
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Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 8;67(Pt 2):o269. doi: 10.1107/S1600536810052979.
7
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.