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2 - (2 - 氯苯基)- 3 - 甲基 - 5,6 - 二苯基 - 2,3 - 二氢吡嗪

2-(2-Chloro-phen-yl)-3-methyl-5,6-diphenyl-2,3-dihydro-pyrazine.

作者信息

Anuradha N, Chitra S, Thiruvalluvar A, Pandiarajan K, Butcher R J, Jasinski J P, Golen J A

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2598. doi: 10.1107/S1600536811036336. Epub 2011 Sep 14.

DOI:10.1107/S1600536811036336
PMID:22065837
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3201404/
Abstract

In the title mol-ecule, C(23)H(19)ClN(2), the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The benzene ring at position 2 makes dihedral angles of 77.88 (12) and 76.31 (12)° with the phenyl rings at positions 5 and 6, respectively. The dihedral angle between the phenyl rings at positions 5 and 6 is 70.05 (10)°. The Cl atom is disordered over two positions with occupancy factors of 0.946 (5) and 0.054 (5). In the crystal, C-H⋯π inter-actions are found.

摘要

在标题分子C₂₃H₁₉ClN₂中,杂环呈螺旋船构象,所有取代基均处于平伏键位置。2位的苯环与5位和6位的苯环分别形成77.88 (12)°和76.31 (12)°的二面角。5位和6位苯环之间的二面角为70.05 (10)°。Cl原子在两个位置上无序,占有率分别为0.946 (5)和0.054 (5)。在晶体中,发现了C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6122/3201404/8be036f8ec61/e-67-o2598-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6122/3201404/8be036f8ec61/e-67-o2598-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6122/3201404/8be036f8ec61/e-67-o2598-fig1.jpg

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