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2-（4-氯苯基）-5-{3,4-二丁氧基-5-[5-（4-氯苯基）-1,3,4-恶二唑-2-基]硫代苯-2-基}-1,3,4-恶二唑

2-(4-Chloro-phen-yl)-5-{3,4-dibut-oxy-5-[5-(4-chloro-phen-yl)-1,3,4-oxadiazol-2-yl]thio-phen-2-yl}-1,3,4-oxadiazole.

作者信息

Li Hai-Lin, Wang Hong-Wei, Lu Ran-Zhe, Wang Hai-Bo

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2298. doi: 10.1107/S1600536808035848.

DOI:10.1107/S1600536808035848
PMID:21581276
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959962/
Abstract

In the title compound, C(28)H(26)Cl(2)N(4)O(4)S, the dihedral angles between the two chloro-phenyl rings and the two oxadiazol rings are 10.51 (4)° and 13.55 (3)°, respectively. The thio-phene ring is oriented at dihedral angles of 5.59 (4)°, 8.33 (4)° and 4.41 (4)°, 11.05 (3)°, respectively, with respect to the two oxadiazol and the two chloro-phenyl rings. The intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring. In the crystal structure, π-π contacts between the oxadiazol rings, the chloro-phenyl rings and the chloro-phenyl and oxadiazol rings [centroid-centroid distances = 3.428 (3) Å, 3.750 (3) Å and 3.768 (3) Å, respectively] are present.

摘要

在标题化合物C₂₈H₂₆Cl₂N₄O₄S中，两个氯苯环与两个恶二唑环之间的二面角分别为10.51 (4)°和13.55 (3)°。噻吩环相对于两个恶二唑环和两个氯苯环的二面角分别为5.59 (4)°、8.33 (4)°以及4.41 (4)°、11.05 (3)°。分子内C—H⋯O氢键导致形成一个五元环。在晶体结构中，存在恶二唑环之间、氯苯环之间以及氯苯环与恶二唑环之间的π-π接触[质心-质心距离分别为3.428 (3) Å、3.750 (3) Å和3.768 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23e9/2959962/ae18ef73953a/e-64-o2298-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23e9/2959962/ae18ef73953a/e-64-o2298-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/23e9/2959962/ae18ef73953a/e-64-o2298-fig1.jpg

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