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6-(1H-吲哚-3-基)-4-苯基-2,2'-联吡啶-5-腈

6-(1H-Indol-3-yl)-4-phenyl-2,2'-bi-pyridine-5-carbonitrile.

作者信息

Zhu Weijun, Xiang Yan, Zhu Songlei

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):o1187. doi: 10.1107/S1600536809016195.

DOI:10.1107/S1600536809016195
PMID:21583060
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969709/
Abstract

In the mol-ecule of the title compound, C(25)H(16)N(4), the pyridine rings are oriented at a dihedral angle of 0.92 (3)°, while the dihedral angle between the benzene ring and the adjacent pyridine ring is 56.51 (3)°. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R(2) (2)(16) ring motifs. π-π contacts between the pyridine ring and the indole ring system and between the pyridine rings [centroid-centroid distances = 3.923 (2) and 3.724 (2) Å] may further stabilize the structure. Two weak C-H⋯π inter-actions are also present.

摘要

在标题化合物C(25)H(16)N(4)的分子中,吡啶环之间的二面角为0.92 (3)°,而苯环与相邻吡啶环之间的二面角为56.51 (3)°。在晶体结构中,分子间的N-H⋯N氢键将分子连接成中心对称的二聚体,形成R(2) (2)(16)环基序。吡啶环与吲哚环系统之间以及吡啶环之间的π-π接触[质心-质心距离 = 3.923 (2) 和3.724 (2) Å]可能进一步稳定该结构。还存在两种弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ece/2969709/5398c54b36ca/e-65-o1187-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ece/2969709/ab82f76a922d/e-65-o1187-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ece/2969709/5398c54b36ca/e-65-o1187-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ece/2969709/ab82f76a922d/e-65-o1187-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7ece/2969709/5398c54b36ca/e-65-o1187-fig2.jpg

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