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N-[2-(6-甲基-4-氧代-4H-色烯-3-基)-4-氧代噻唑烷-3-基]呋喃-2-甲酰胺 N,N-二甲基甲酰胺溶剂合物

N-[2-(6-Methyl-4-oxo-4H-chromen-3-yl)-4-oxothia-zolidin-3-yl]furan-2-carbox-amide N,N-dimethyl-formamide solvate.

作者信息

Zhao Pei-Liang, Zhou Zhong-Zhen

机构信息

Department of Chemistry, Pharmaceutical Sciences, Southern Medical Universtiy, Guangzhou 510515, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2030-1. doi: 10.1107/S1600536809029572.

Abstract

The title mol-ecule, C(18)H(14)N(2)O(5)S·C(3)H(7)NO, comprises of a carboxamide group bonded to a furan ring and a distorted envelope-shaped 4-oxothia-zolidin-3-yl group which is connected to a substituted 6-methyl-4-oxo-4H-chromen-3-yl group. Extensive strong N-H⋯O and weak C-H⋯O inter-molecular hydrogen-bonding inter-actions occur between dimethyl-formamide (DMF), the crystallizing solvent, and the various heterocyclic groups within the compound, as well as additional weak C-H⋯O inter-actions between the heterocyclic groups themselves. The carboxyl group of the DMF solvent mol-ecule forms a trifurcated (four-center) acceptor hydrogen-bond inter-action with the carboxamide, furan and 6-methyl-4-oxo-4H-chromen-3-yl groups. The dihedral angles between the planar chromone group [maximum deviation = 0.0377 (18)°] and those of the furan and 4-oxothia-zolidin-3-yl groups are 89.4 (6) and 78.5 (1)°, respectively.

摘要

标题分子C(18)H(14)N(2)O(5)S·C(3)H(7)NO由一个与呋喃环相连的羧酰胺基团和一个扭曲的信封状4-氧代噻唑烷-3-基组成,该基团与一个取代的6-甲基-4-氧代-4H-色烯-3-基相连。在结晶溶剂二甲基甲酰胺(DMF)与化合物中的各种杂环基团之间以及杂环基团自身之间存在广泛的强N-H⋯O和弱C-H⋯O分子间氢键相互作用。DMF溶剂分子的羧基与羧酰胺、呋喃和6-甲基-4-氧代-4H-色烯-3-基形成三叉(四中心)受体氢键相互作用。平面色酮基团[最大偏差 = 0.0377 (18)°]与呋喃和4-氧代噻唑烷-3-基的二面角分别为89.4 (6)°和78.5 (1)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f35d/2977248/7735bea76b8c/e-65-o2030-fig1.jpg

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