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(2E)-1-(4-氨基-苯基)-3-(2-噻吩基)丙-2-烯-1-酮乙醇半溶剂化物

(2E)-1-(4-Amino-phen-yl)-3-(2-thien-yl)prop-2-en-1-one ethanol hemisolvate.

作者信息

Fun Hoong-Kun, Kobkeatthawin Thawanrat, Chantrapromma Suchada

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 26;65(Pt 10):o2532-3. doi: 10.1107/S1600536809037933.

DOI:10.1107/S1600536809037933
PMID:21577977
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970323/
Abstract

In the title compound, C(13)H(11)NOS·0.5C(2)H(6)O, the chalcone derivative is close to planar, the dihedral angle between the thio-phene and 4-amino-phenyl rings being 3.1 (2)°. The thio-phene ring is disordered over two orientations with occupancies of 0.842 (3) and 0.158 (3). In the crystal structure, mol-ecules are linked into chains along the b axis by N-H⋯O hydrogen bonds. The chains are crosslinked via N-H⋯π inter-actions involving the thio-phene ring. The ethanol solvent mol-ecule is also disordered over two positions, each with an occupancy of 0.25.

摘要

在标题化合物C(13)H(11)NOS·0.5C(2)H(6)O中,查尔酮衍生物接近平面结构,噻吩环与4-氨基苯环之间的二面角为3.1(2)°。噻吩环在两个取向之间无序,占有率分别为0.842(3)和0.158(3)。在晶体结构中,分子通过N-H⋯O氢键沿b轴连接成链。这些链通过涉及噻吩环的N-H⋯π相互作用交联。乙醇溶剂分子也在两个位置无序,每个位置的占有率为0.25。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3898/2970323/ec267a2b9bfc/e-65-o2532-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3898/2970323/ee4716b24391/e-65-o2532-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3898/2970323/ec267a2b9bfc/e-65-o2532-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3898/2970323/ee4716b24391/e-65-o2532-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3898/2970323/ec267a2b9bfc/e-65-o2532-fig2.jpg

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