2-苄基氨基-4-(4-甲氧基苯基)-6,7,8,9-四氢- 5h -环庚-[b]吡啶-3-碳腈的晶体结构。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-19 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814024878
R A Nagalakshmi, J Suresh, S Maharani, R Ranjith Kumar, P L Nilantha Lakshman
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引用次数: 1

摘要

标题化合物c25h25n30o包括一个2-氨基吡啶环与一个环庚烷环融合,其呈椅状构象。中心的吡啶环(m.s.偏差= 0.013 Å)带有三个取代基,即一个苯基-氨基,一个甲基-氧苯基环和一个碳-腈基。碳腈基的N原子从吡啶环的平面上明显位移[0.2247 (1)Å],可能是由于邻近取代基的空间拥挤。苯环与苯环的倾斜度分别为58.91(7)°,吡啶环的倾斜度分别为76.68(7)°和49.80(6)°。在晶体中,由一对对N-H⋯腈氢键连接的倒置二聚体产生r2(2)(14)环。二聚体通过C-H⋯π和滑动平行π-π相互作用[质心-质心距离= 3.6532 (3)Å]连接成三维结构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Crystal structure of 2-benzyl-amino-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine-3-carbo-nitrile.

The title compound, C25H25N3O, comprises a 2-amino-pyridine ring fused with a cyclo-heptane ring, which adopts a chair conformation. The central pyridine ring (r.m.s. deviation = 0.013 Å) carries three substituents, viz. a benzyl-amino group, a meth-oxy-phenyl ring and a carbo-nitrile group. The N atom of the carbo-nitrile group is significantly displaced [by 0.2247 (1) Å] from the plane of the pyridine ring, probably due to steric crowding involving the adjacent substituents. The phenyl and benzene rings are inclined to one another by 58.91 (7)° and to the pyridine ring by 76.68 (7) and 49.80 (6)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯Nnitrile hydrogen bonds generate R 2 (2)(14) loops. The dimers are linked by C-H⋯π and slipped parallel π-π inter-actions [centroid-centroid distance = 3.6532 (3) Å] into a three-dimensional structure.

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期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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