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1-苄基-4-(2,4-二氯苯基)-2-亚氨基-1,2,5,6,7,8,9,10-八氢环辛并[b]吡啶-3-甲腈的晶体结构

Crystal structure of 1-benzyl-4-(2,4-di-chloro-phenyl)-2-imino-1,2,5,6,7,8,9,10-octa-hydro-cyclo-octa-[b]pyridine-3-carbo-nitrile.

作者信息

Nagalakshmi R A, Suresh J, Maharani S, Kumar R Ranjith, Lakshman P L Nilantha

机构信息

Department of Physics, The Madura College, Madurai 625 011, India.

Department of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 31;70(Pt 11):441-3. doi: 10.1107/S1600536814023071. eCollection 2014 Nov 1.

DOI:10.1107/S1600536814023071
PMID:25484769
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4257305/
Abstract

In the title compound, C25H23Cl2N3, the cyclo-octene ring adopts a twist chair-chair conformation. The dihedral angles between the central pyridine ring (r.m.s. deviation = 0.013 Å) and the pendant chloro-benzene and benzyl rings are 78.07 (11) and 87.47 (12)°, respectively. No directional inter-actions could be identified in the crystal and the packing is governed by van der Waals inter-actions.

摘要

在标题化合物C₂₅H₂₃Cl₂N₃中，环辛烯环呈扭船式椅式构象。中心吡啶环（均方根偏差 = 0.013 Å）与悬挂的氯苯环和苄基环之间的二面角分别为78.07 (11)°和87.47 (12)°。在晶体中未发现定向相互作用，堆积由范德华相互作用主导。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b69/4257305/63577f0ebe9c/e-70-00441-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b69/4257305/036da490b81f/e-70-00441-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b69/4257305/63577f0ebe9c/e-70-00441-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b69/4257305/036da490b81f/e-70-00441-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b69/4257305/63577f0ebe9c/e-70-00441-fig2.jpg

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5
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6
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7
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8
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9
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10
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