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1,1'-[4-(2,4-二氯苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二基]二乙酮

1,1'-[4-(2,4-Dichloro-phen-yl)-2,6-di-methyl-1,4-di-hydro-pyridine-3,5-di-yl]diethanone.

作者信息

Sundar J Kalyana, Reddy B Palakshi, Vijayakumar V, Natarajan S, Suresh J, Lakshman P L Nilantha

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o380-1. doi: 10.1107/S1600536810052839.

DOI:10.1107/S1600536810052839
PMID:21523057
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3051630/
Abstract

In the title compound, C(17)H(17)Cl(2)NO(2), the central 1,4-dihydro-pyridine ring adopts a flattened-boat conformation. The ethanone substituents of the dihydro-pyridine ring at positions 3 and 5 have synperiplanar (cis) or anti-periplanar (trans) conformations with respect to the adjacent C=C bonds in the dihydro-pyridine ring. The 2,4-dichloro-phenyl ring is almost planar [r.m.s. deviation = 0.0045 (1) Å] and almost perpendicular [89.27 (3)°] to the mean plane of the dihydro-pyridine ring. In the crystal, an N-H⋯O hydrogen bond links mol-ecules into a zigzag chain along the ac diagonal. C-H⋯Cl contacts form centrosymmetric dimers and additional weak C-H⋯O contacts further consolidate the packing.

摘要

在标题化合物C(17)H(17)Cl(2)NO(2)中,中心的1,4-二氢吡啶环呈扁平船式构象。二氢吡啶环3位和5位的乙酮取代基相对于二氢吡啶环中相邻的C=C键具有同面共平面(顺式)或异面共平面(反式)构象。2,4-二氯苯基环几乎呈平面状[r.m.s.偏差 = 0.0045 (1) Å],且与二氢吡啶环的平均平面几乎垂直[89.27 (3)°]。在晶体中,一个N-H⋯O氢键将分子沿ac对角线连接成锯齿链。C-H⋯Cl接触形成中心对称二聚体,额外的弱C-H⋯O接触进一步巩固了堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67fe/3051630/be744a568ff1/e-67-0o380-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67fe/3051630/18a3020c767f/e-67-0o380-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67fe/3051630/be744a568ff1/e-67-0o380-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67fe/3051630/18a3020c767f/e-67-0o380-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/67fe/3051630/be744a568ff1/e-67-0o380-fig2.jpg

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