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(E)-3-(2-氯苯基)-1-(4-硝基苯基)丙-2-烯-1-酮

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

作者信息

Fun Hoong-Kun, Chantrapromma Suchada, Patil P S, Dharmaprakash S M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 May 3;64(Pt 6):o958-9. doi: 10.1107/S160053680801218X.

Abstract

In the title compound, C(15)H(10)ClNO(3), a substituted chalcone, the 2-chloro-phenyl and 4-nitro-phenyl rings make a dihedral angle of 26.48 (6)°. The nitro group makes a dihedral angle of 11.64 (7)° with the plane of the benzene ring to which it is bound. Weak intra-molecular C-H⋯O and C-H⋯Cl inter-actions involving the enone groups generate S(5) ring motifs, which help to stabilize the planarity of the 3-(2-chloro-phen-yl)prop-2-en-1-one segment of the mol-ecule. In the crystal structure, adjacent mol-ecules are stacked in a head-to-tail fashion into columns along the a axis by π-π inter-actions [centroid-centroid distance = 3.6955 (8) Å]. Neighbouring columns are linked by weak C-H⋯O inter-actions.

摘要

在标题化合物C₁₅H₁₀ClNO₃(一种取代查尔酮)中,2-氯苯基和4-硝基苯基环之间的二面角为26.48(6)°。硝基与其相连的苯环平面之间的二面角为11.64(7)°。涉及烯酮基团的弱分子内C-H⋯O和C-H⋯Cl相互作用产生S(5)环基序,这有助于稳定分子中3-(2-氯苯基)丙-2-烯-1-酮片段的平面性。在晶体结构中,相邻分子通过π-π相互作用[质心-质心距离 = 3.6955(8)Å]以头对尾的方式沿a轴堆叠成列。相邻列通过弱C-H⋯O相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c2a9/2961413/3c44c815a077/e-64-0o958-fig1.jpg

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