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1-（6-氯-1-甲基-1H-咪唑并[4,5-c]吡啶-4-基）-3-（2-氯苯基）脲

1-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)-3-(2-chloro-phen-yl)urea.

作者信息

Devaru Venkatesh B, Vinduvahini M, Madaiah M, Revanasiddappa H D, Devarajegowda H C

机构信息

P. G. Department of Physics, LVD College, Raichur 584 103, Karnataka, India.

Department of Physics, Sri D Devaraja Urs Govt. First Grade College, Hunsur 571 105, Mysore District, Karnataka, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 18;70(Pt 2):o155-6. doi: 10.1107/S1600536814000695. eCollection 2014 Feb 1.

DOI:10.1107/S1600536814000695
PMID:24764877
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998316/
Abstract

In the title compound, C14H11Cl2N5O, the plane of the 1H-imidazo[4,5-c]pyridine ring system [r.m.s. deviation = 0.087 (19) Å] makes a dihedral angle of 4.87 (10)° with the terminal phenyl ring. An intra-molecular N-H⋯N hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers. These dimers are connected by π-π inter-actions between imidazole rings [shortest centroid-centroid distance = 3.4443 (14) Å].

摘要

在标题化合物C₁₄H₁₁Cl₂N₅O中，1H-咪唑并[4,5-c]吡啶环系的平面[r.m.s.偏差 = 0.087 (19) Å]与末端苯环形成4.87 (10)°的二面角。分子内N-H⋯N氢键稳定了分子构象。在晶体中，N-H⋯O氢键将分子连接成反向二聚体。这些二聚体通过咪唑环之间的π-π相互作用相连[最短质心-质心距离 = 3.4443 (14) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0a4/3998316/0ed1d49378ac/e-70-0o155-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0a4/3998316/285cc4058951/e-70-0o155-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0a4/3998316/0ed1d49378ac/e-70-0o155-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0a4/3998316/285cc4058951/e-70-0o155-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0a4/3998316/0ed1d49378ac/e-70-0o155-fig2.jpg

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