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（E）-1-（4-氨基苯基）-3-（吡啶-3-基）丙-2-烯-1-酮

(E)-1-(4-Amino-phen-yl)-3-(pyridin-3-yl)prop-2-en-1-one.

作者信息

Chantrapromma Suchada, Kobkeatthawin Thawanrat, Chanawanno Kullapa, Wisitsak Pitikan, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1770-1. doi: 10.1107/S1600536811023634. Epub 2011 Jun 22.

DOI:10.1107/S1600536811023634
PMID:21837148
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152058/
Abstract

The title chalcone derivative, C(14)H(12)N(2)O, consists of 4-amino-phenyl and pyridine rings bridged by a prop-2-en-1-one unit and exists in a trans configuration with respect to the C=C double bond. The mol-ecule is slightly twisted with a dihedral angle of 29.38 (7)° between the benzene and pyridine rings. The prop-2-en-1-one bridge is nearly planar with an r.m.s. deviation of 0.0384 (1) Å and makes dihedral angles of 15.40 (9) and 16.30 (9)°, respectively, with the benzene and pyridine rings. In the crystal, mol-ecules are linked by N-H⋯N and N-H⋯O hydrogen bonds into a layer parallel to the ab plane. A π-π inter-action with a centroid-centroid distance of 3.6946 (10) Å is also observed.

摘要

标题查尔酮衍生物C(14)H(12)N(2)O由4-氨基苯基和吡啶环通过一个1-丙烯-1-酮单元桥连而成，相对于C=C双键呈反式构型。分子略有扭曲，苯环和吡啶环之间的二面角为29.38 (7)°。1-丙烯-1-酮桥几乎呈平面状，均方根偏差为0.0384 (1) Å，分别与苯环和吡啶环形成15.40 (9)°和16.30 (9)°的二面角。在晶体中，分子通过N-H⋯N和N-H⋯O氢键连接成平行于ab平面的层。还观察到质心间距为3.6946 (10) Å的π-π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c32/3152058/af9646b303d4/e-67-o1770-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c32/3152058/aee3f3c87f8a/e-67-o1770-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c32/3152058/af9646b303d4/e-67-o1770-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c32/3152058/aee3f3c87f8a/e-67-o1770-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1c32/3152058/af9646b303d4/e-67-o1770-fig2.jpg

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