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5-(5-苯基-1,2-恶唑-3-基)-1,3,4-噻二唑-2-胺的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thia-diazol-2-amine.

作者信息

Nikitina Evgeniya V, Çelikesir Sevim Türktekin, Akkurt Mehmet, Petkevich Sergey K, Akishina Ekaterina A, Khrustalev Victor N, Mlowe Sixberth

机构信息

Department of Organic Chemistry, Peoples' Friendship University of Russia (RUDN University), 6 Miklukho-Maklaya St., 117198, Moscow, Russian Federation.

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

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Mar 31;78(Pt 4):453-457. doi: 10.1107/S2056989022003450. eCollection 2022 Apr 1.

Abstract

The title compound, CHNOS, crystallizes with two independent mol-ecules in the asymmetric unit. In the crystal, the N-H⋯N and C-H⋯N hydrogen bonds connect the mol-ecules, generating double layers parallel to the (001) plane. The layers are joined by C-H⋯π inter-actions to form a three-dimensional supra-molecular structure.

摘要

标题化合物CHNOS在不对称单元中结晶出两个独立的分子。在晶体中,N-H⋯N和C-H⋯N氢键连接分子,形成平行于(001)平面的双层结构。这些层通过C-H⋯π相互作用连接在一起,形成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/09f2/8983972/e3d60e5bb97b/e-78-00453-fig1.jpg

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