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5 -（4,4'' - 二氟 - 5' - 羟基 - 1,1':3',1'' - 三联苯 - 4' - 基）- 3 -（吗啉 - 4 - 基甲基）- 1,3,4 - 恶二唑 - 2(3H) - 硫酮

5-(4,4''-Difluoro-5'-hy-droxy-1,1':3',1''-terphenyl-4'-yl)-3-(morpholin-4-ylmeth-yl)-1,3,4-oxadiazole-2(3H)-thione.

作者信息

Fun Hoong-Kun, Arshad Suhana, Samshuddin S, Narayana B, Sarojini B K

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3372. doi: 10.1107/S1600536811048471. Epub 2011 Nov 19.

DOI:10.1107/S1600536811048471
PMID:22199864
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3239015/
Abstract

In the title compound, C(25)H(21)F(2)N(3)O(3)S, the morpholine ring adopts a chair conformation. The 1,3,4-oxadiazole-2(3H)-thione group makes dihedral angles of 78.69 (8), 53.56 (7) and 55.30 (9)° with the benzene rings. In the crystal, O-H⋯O, C-H⋯S and C-H⋯F hydrogen bonds linked the mol-ecules into layers lying parallel to the ab plane. Weak C-H⋯π inter-actions also occur.

摘要

在标题化合物C₂₅H₂₁F₂N₃O₃S中，吗啉环呈椅式构象。1,3,4-恶二唑-2(3H)-硫酮基团与苯环的二面角分别为78.69 (8)°、53.56 (7)°和55.30 (9)°。在晶体中，O—H⋯O、C—H⋯S和C—H⋯F氢键将分子连接成平行于ab平面的层。还存在弱的C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f56/3239015/e284b4c861ab/e-67-o3372-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f56/3239015/b563c522127e/e-67-o3372-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f56/3239015/e284b4c861ab/e-67-o3372-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f56/3239015/b563c522127e/e-67-o3372-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f56/3239015/e284b4c861ab/e-67-o3372-fig2.jpg

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