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（E）-1-（4-氨基苯基）-3-（萘-2-基）丙-2-烯-1-酮

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

作者信息

Kobkeatthawin Thawanrat, Chantrapromma Suchada, Saewan Nisakorn, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1204-5. doi: 10.1107/S1600536811014024. Epub 2011 Apr 22.

DOI:10.1107/S1600536811014024
PMID:21754504
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089117/
Abstract

The mol-ecule of the title chalcone derivative, C(19)H(15)NO, exists in a trans configuration with respect to the C=C double bond. The mol-ecule is slightly twisted with a dihedral angle of 6.12 (12)° between the benzene ring and the naphthalene ring system. The prop-2-en-1-one bridge is nearly planar, with an r.m.s. deviation of 0.0194 (2), and makes dihedral angles of 8.05 (19) and 11.47 (18)° with the benzene ring and the naphthalene ring system, respectively. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into chains along the b axis. Weak N-H⋯π and C-H⋯π inter-actions and a short N⋯O contact [2.974 (4) Å] are also observed.

摘要

标题查尔酮衍生物C(19)H(15)NO的分子相对于C=C双键呈反式构型。分子略有扭曲，苯环与萘环体系之间的二面角为6.12 (12)°。2-丙烯-1-酮桥几乎是平面的，均方根偏差为0.0194 (2)，与苯环和萘环体系的二面角分别为8.05 (19)°和11.47 (18)°。在晶体中，分子通过N-H⋯O氢键沿b轴连接成链。还观察到弱的N-H⋯π和C-H⋯π相互作用以及短的N⋯O接触[2.974 (4) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/119f/3089117/497cba0a1c52/e-67-o1204-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/119f/3089117/a8981711a63f/e-67-o1204-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/119f/3089117/497cba0a1c52/e-67-o1204-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/119f/3089117/a8981711a63f/e-67-o1204-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/119f/3089117/497cba0a1c52/e-67-o1204-fig2.jpg

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