3-乙基-2-（甲基磺胺基）-5,5-二苯基- 3h -咪唑-4(5H)- 1（硫代苯托英类似物）的合成、晶体结构和Hirshfeld表面分析。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-09-01 DOI:10.1107/S205698902500698X

Abderrazzak El Moutaouakil Ala Allah , Chiara Massera , Walid Guerrab , Abdulsalam Alsubari , Joel T. Mague , Youssef Ramli

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引用次数: 0

摘要

在标题分子3-乙基-2-（甲基磺胺基）-5,5-二苯基- 3h -咪唑-4(5H)- 1， C18H18N2OS中，两个取代基苯基环相对于五元环平面分别倾斜59.50(7)°和83.53(8)°。s -甲基在这个平面上而乙基几乎垂直于它。在晶体中，弱的C-H⋯O氢键形成倒置二聚体，它们通过传统的范德华接触堆积。进行了Hirshfeld表面分析，显示H⋯H和C⋯H/H⋯C接触的优势。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Synthesis, crystal structure and Hirshfeld surface analysis of 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one (Thiophenytoin analogue)

The molecular and crystal structures of 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one were determined and compared with the structures of similar molecules obtained from the CSD. Intermolecular interactions were further examined through a Hirshfeld surface analysis.

In the title molecule, 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one, C₁₈H₁₈N₂OS, the two substituent phenyl rings are inclined of 59.50 (7) and 83.53 (8)° with respect to the plane of the five-membered ring. The S-methyl group lies in this plane while the ethyl group is nearly perpendicular to it. In the crystal, weak C—H⋯O hydrogen bonds form inversion dimers, which pack via conventional van der Waals contacts. A Hirshfeld surface analysis was performed, showing the predominance of H⋯H and C⋯H/H⋯C contacts.

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来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.