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1,1'-[氧代双(乙烷-2,1-二亚基)]双-(2-甲基硫烷基-1-苯并咪唑)的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of 1,1'-[oxybis(ethane-2,1-di-yl)]bis-(2-methyl-sulfanyl-1-benzo[]imidazole).

作者信息

Moussaif Ahmed, El Ghayati Lhoussaine, Kalonji Mubengayi Camille, Alsubari Abdulsalam, Essassi El Mokhtar, Mague Joel T, Ramli Youssef

机构信息

National Center for Nuclear Energy, Science and Technology,Rabat Morocco.

Laboratory of Heterocyclic Organic Chemistry Medicines Science Research Center Pharmacochemistry Competence Center Mohammed V University in Rabat Faculte des Sciences Av Ibn Battouta BP 1014 Rabat Morocco.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 May 2;81(Pt 6):464-468. doi: 10.1107/S2056989025003809. eCollection 2025 Jun 1.

Abstract

The asymmetric unit of the title compound, CHNOS, consists of two independent mol-ecules, one of which is disordered. In each mol-ecule, the mean planes of the terminal benzimidazole moieties are inclined to one another by about 68°. In the crystal, tetra-molecular strands are generated by C-H⋯N hydrogen bonds and C-H⋯π(ring) inter-actions and are linked by C-H⋯π(ring) and π-stacking inter-actions.

摘要

标题化合物CHNOS的不对称单元由两个独立分子组成,其中一个分子存在无序情况。在每个分子中,末端苯并咪唑部分的平均平面相互倾斜约68°。在晶体中,四分子链通过C-H⋯N氢键和C-H⋯π(环)相互作用形成,并通过C-H⋯π(环)和π-堆积相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4344/12142410/d8b5f2a7e1ec/e-81-00464-fig1.jpg

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