Suppr超能文献

(2Z)-((2Z)-2-{(2E)-[1-(4-甲基苯基)亚乙基]肼叉基}-4-氧代-3-苯基-1,3-噻唑烷-5-亚基)乙酸甲酯

Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.

作者信息

Mague Joel T, Akkurt Mehmet, Mohamed Shaaban K, Hassan Alaa A, Albayati Mustafa R

机构信息

Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 10;69(Pt 9):o1401-2. doi: 10.1107/S1600536813021533. eCollection 2013.

Abstract

The asymmetric unit of the title compound, C21H19N3O3S, contains two independent mol-ecules. In one mol-ecule, the 1,3-thia-zolidine ring forms dihedral angles of 86.19 (8) and 8.37 (8)° with the phenyl and benzene rings, respectively. The corresponding dihedral angles in the other mol-ecule are 69.60 (7) and 14.08 (7)°. The dihedral angle between the phenyl and benzene rings is 84.70 (8)° in one mol-ecule and 69.62 (8)° in the other. In the crystal, mol-ecules pack in layers approximately parallel to (10-2). There are weak C-H⋯O hydrogen bonds within these layers. Further weak C-H⋯O hydrogen bonding occurs between the layers to form a three-dimensional network. A weak C-H⋯π inter-action is also observed.

摘要

标题化合物C₂₁H₁₉N₃O₃S的不对称单元包含两个独立的分子。在一个分子中,1,3-噻唑烷环与苯环和苯基环分别形成86.19 (8)°和8.37 (8)°的二面角。另一个分子中的相应二面角分别为69.60 (7)°和14.08 (7)°。在一个分子中,苯环和苯基环之间的二面角为84.70 (8)°,在另一个分子中为69.62 (8)°。在晶体中,分子堆积成大致平行于(10 -2)的层。这些层内存在弱的C-H⋯O氢键。层与层之间还发生进一步的弱C-H⋯O氢键作用,形成三维网络。还观察到弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/15c4/3884445/ddc0d8fd62f1/e-69-o1401-fig2.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验