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(E)-1-(2-氨基苯基)-3-(噻吩-2-基)丙-2-烯-1-酮

(E)-1-(2-Amino-phen-yl)-3-(thio-phen-2-yl)prop-2-en-1-one.

作者信息

Chantrapromma Suchada, Ruanwas Pumsak, Boonnak Nawong, Fun Hoong-Kun

机构信息

Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 8;69(Pt 7):o1004-5. doi: 10.1107/S1600536813014189. eCollection 2013.

DOI:10.1107/S1600536813014189
PMID:24046592
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3772449/
Abstract

The mol-ecule of the title heteroaryl chalcone derivative, C13H11NOS, exists in a trans-configuaration and is almost planar with a dihedral angle of 3.73 (8)° between the phenyl and thio-phene rings. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, two adjacent mol-ecules are linked into a dimer in an anti-parallel face-to-face manner by a pair of C-H⋯O inter-actions. Neighboring dimers are further linked into chains along the c-axis direction by N-H⋯N hydrogen bonds.

摘要

标题杂芳基查尔酮衍生物C₁₃H₁₁NOS的分子呈反式构型,几乎是平面的,苯环和噻吩环之间的二面角为3.73 (8)°。分子内N-H⋯O氢键形成一个S(6)环 motif。在晶体中,两个相邻分子通过一对C-H⋯O相互作用以反平行面对面的方式连接成二聚体。相邻的二聚体通过N-H⋯N氢键沿c轴方向进一步连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea0/3772449/27fab2fa32ec/e-69-o1004-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea0/3772449/a6dfba4d74d1/e-69-o1004-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea0/3772449/27fab2fa32ec/e-69-o1004-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea0/3772449/a6dfba4d74d1/e-69-o1004-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8ea0/3772449/27fab2fa32ec/e-69-o1004-fig3.jpg

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