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(E)-2-氰基-3-[4-(二甲基氨基)苯基]-N-苯基丙-2-烯酰胺

(E)-2-Cyano-3-[4-(dimethyl-amino)phen-yl]-N-phenyl-prop-2-enamide.

作者信息

Asiri Abdullah Mohamed, Akkurt Mehmet, Khan Salman A, Khan Islam Ullah, Arshad Muhammad Nadeem

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):o1303. doi: 10.1107/S1600536809017681.

DOI:10.1107/S1600536809017681
PMID:21583160
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969614/
Abstract

In the title compound, C(18)H(17)N(3)O, the dihedral angle between the phenyl and benzene rings is 11.22 (14)°. Apart from the methyl H atoms, the mol-ecule is close to planar, with a maximum deviation of 0.145 (3) Å. Intra-molecular C-H⋯O and C-H⋯N inter-actions occur. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds occur, resulting in an R(2) (2)(12) ring motif. Further C-H⋯N and C-H⋯O bonds generate R(1) (2)(7) and R(2) (2)(22) motifs and a C-H⋯π inter-action also occurs.

摘要

在标题化合物C(18)H(17)N(3)O中,苯基和苯环之间的二面角为11.22 (14)°。除甲基氢原子外,分子接近平面,最大偏差为0.145 (3) Å。分子内存在C—H⋯O和C—H⋯N相互作用。在晶体中,通过N—H⋯N氢键对连接形成反演二聚体,产生R(2) (2)(12)环模式。进一步的C—H⋯N和C—H⋯O键产生R(1) (2)(7)和R(2) (2)(22)模式,并且还存在C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/a7a651bd3278/e-65-o1303-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/721780579c3f/e-65-o1303-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/7fb622ccebc6/e-65-o1303-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/a7a651bd3278/e-65-o1303-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/721780579c3f/e-65-o1303-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/7fb622ccebc6/e-65-o1303-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fa99/2969614/a7a651bd3278/e-65-o1303-fig3.jpg

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