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S-苯基 4-甲氧基苯硫酯

S-Phenyl 4-meth-oxy-benzothio-ate.

作者信息

El-Azab Adel S, Abdel-Aziz Alaa A-M, El-Subbagh Hussein I, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1074-5. doi: 10.1107/S1600536812005454. Epub 2012 Mar 17.

DOI:10.1107/S1600536812005454
PMID:22589939
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344030/
Abstract

In the mol-ecule of the title thio-ester, C(14)H(12)O(2)S, the dihedral angle between the phenyl and benzene rings is 71.8 (3)°. The meth-oxy group is essentially coplanar with the benezene ring to which it is bonded, with an r.m.s. deviation of 0.0065 (5) Å for the non-H atoms involved. In the crystal, weak C-H⋯π inter-actions are present.

摘要

在标题硫酯C(14)H(12)O(2)S的分子中，苯基和苯环之间的二面角为71.8 (3)°。甲氧基与其相连的苯环基本共面，所涉及的非H原子的均方根偏差为0.0065 (5) Å。在晶体中，存在弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ddb/3344030/13ecb9c2f353/e-68-o1074-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ddb/3344030/13ecb9c2f353/e-68-o1074-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1ddb/3344030/13ecb9c2f353/e-68-o1074-fig1.jpg

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