Suppr超能文献

1-(3-氯苯基)-2-甲基-4-硝基-1H-咪唑-5-甲酰胺

1-(3-Chloro-phen-yl)-2-methyl-4-nitro-1H-imidazole-5-carboxamide.

作者信息

Korzański Artur, Wagner Paweł, Kubicki Maciej

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2626. doi: 10.1107/S1600536811036609. Epub 2011 Sep 14.

Abstract

In the crystal structure of the title compound, C(11)H(9)ClN(4)O(3), pairs of N-H⋯N(imidazole) hydrogen bonds connect the mol-ecules into centrosymmetric dimers, which are further connected by N-H⋯O(carbamo-yl) hydrogen bonds into C(4) chains along [010]. Inter-play of these two kinds of hydrogen bonds connect the mol-ecules into layers perpendicular to [101]. The imidazole [maximum deviation 0.0069 (9) Å] and phenyl rings are inclined at a dihedral angle of 58.44 (6)°; the nitro group is almost coplanar [dihedral angle 5.8 (2)°] with the imidazole ring while the carbamoyl group is almost perpendicular [70.15 (13)°] to it.

摘要

在标题化合物C(11)H(9)ClN(4)O(3)的晶体结构中,N-H⋯N(咪唑)氢键对将分子连接成中心对称的二聚体,这些二聚体通过N-H⋯O(氨基甲酰基)氢键进一步沿[010]连接成C(4)链。这两种氢键的相互作用将分子连接成垂直于[101]的层。咪唑环[最大偏差0.0069 (9) Å]与苯环的二面角为58.44 (6)°;硝基与咪唑环几乎共面[二面角5.8 (2)°],而氨基甲酰基与咪唑环几乎垂直[70.15 (13)°]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d392/3201265/93f6aeef30f6/e-67-o2626-fig1.jpg

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验