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2-（4-氟苯基）-3-[5-（4-硝基苯基）-1,3,4-噻二唑-2-基]-1,3-噻唑烷-4-酮

2-(4-Fluoro-phen-yl)-3-[5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.

作者信息

Yu Peng, An Kang, He Qiu, Zhang Jian-Qaing, Wan Rong

机构信息

Department of Applied Chemistry, College of Science, Nanjing University of Technology, No. 5 Xinmofan Road, Nanjing, Nanjing 210009, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1737. doi: 10.1107/S1600536810023354.

DOI:10.1107/S1600536810023354
PMID:21587954
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3007081/
Abstract

In the title compound, C(17)H(11)FN(4)O(3)S(2), the five-membered thia-zolidinone and thia-diazole rings are almost planar, with r.m.s. deviations of 0.017 and 0.0019 Å, respectively. The 4-fluoro-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 89.5 (3)°. The 4-nitro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 7.9 (3)°. The crystal structure is stabilized by two inter-molecular C-H⋯O hydrogen bonds.

摘要

在标题化合物C(17)H(11)FN(4)O(3)S(2)中，五元噻唑烷酮环和噻二唑环几乎是平面的，均方根偏差分别为0.017和0.0019 Å。4-氟苯环几乎垂直于噻二唑环，二面角为89.5 (3)°。4-硝基苯环与噻二唑环近乎共面，二面角为7.9 (3)°。晶体结构通过两个分子间C-H⋯O氢键得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6de9/3007081/f1a3e10b2c5a/e-66-o1737-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6de9/3007081/2b63c13a3b93/e-66-o1737-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6de9/3007081/f1a3e10b2c5a/e-66-o1737-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6de9/3007081/2b63c13a3b93/e-66-o1737-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6de9/3007081/f1a3e10b2c5a/e-66-o1737-fig2.jpg

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本文引用的文献

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2-(2,4-Dichloro-phen-yl)-3-[5-(3,5-dimethyl-phen-yl)-1,3,4-thia-diazol-2-yl]thia-zolidin-4-one.2-（2,4-二氯苯基）-3-[5-（3,5-二甲基苯基）-1,3,4-噻二唑-2-基]噻唑烷-4-酮
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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.
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2-烷基（烷硫基）-5-吡唑基-1,3,4-恶二唑（噻二唑）对茄丝核菌的合成及杀菌活性
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