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（2E）-1-（4-氯苯基）-3-（4-硝基苯基）丙-2-烯-1-酮

(2E)-1-(4-Chloro-phen-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one.

作者信息

Yamuna T S, Yathirajan H S, Jasinski Jerry P, Keeley Amanda C, Narayana B, Sarojini B K

机构信息

Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o790-1. doi: 10.1107/S1600536813010854. Print 2013 May 1.

DOI:10.1107/S1600536813010854
PMID:23723933
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648313/
Abstract

In the title compound, C15H10ClNO3, a substituted chalcone, the dihedral angle between the benzene rings is 5.1 (7)°. The nitro group makes a dihedral angle of 12.5 (3)° with the benzene ring to which it is attached. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into a one-dimensional array along [010]. The crystal studied was an inversion twin, with a refined ratio for the twin components of 0.6060 (9):0.3939 (1).

摘要

在标题化合物C₁₅H₁₀ClNO₃（一种取代查尔酮）中，苯环之间的二面角为5.1 (7)°。硝基与其相连的苯环形成的二面角为12.5 (3)°。在晶体中，弱的C—H⋯O相互作用将分子沿[010]连接成一维阵列。所研究的晶体是一个倒易孪晶，孪晶组分的精修比例为0.6060 (9):0.3939 (1)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/289662b518eb/e-69-0o790-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/7419be58fcc1/e-69-0o790-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/9757640e4959/e-69-0o790-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/289662b518eb/e-69-0o790-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/7419be58fcc1/e-69-0o790-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/9757640e4959/e-69-0o790-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2828/3648313/289662b518eb/e-69-0o790-fig3.jpg

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