Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-2-[2-(propan-2-ylidene)hydrazin-1-yl]-4,5-dihydro-1H-imidazol-4-one N,N-dimethylformamide hemisolvate

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-02-01 DOI:10.1107/S2056989025000076

Abderrazzak El Moutaouakil Ala Allah , Benson M. Kariuki , Walid Guerrab , Abdulsalam Alsubari , Musa A. Said , Joel T. Mague , Youssef Ramli

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引用次数: 0

Abstract

The asymmetric unit consists of two independent molecules of the substituted imidazolone having different conformations, and one molecule of solvent DMF. The two imidazolone molecules are linked by N—H⋯N and C—H⋯O hydrogen bonds and the DMF is joined to one of these by a N—H⋯O hydrogen bond. Additional N—H⋯N and C—H⋯O hydrogen bonds link these groups into corrugated layers parallel to the (101) plane with the layers joined by C—H⋯π (ring) interactions.

The asymmetric unit of the title structure, 2C₁₈H₁₈N₄O₂·C₃H₇NO, consists of two independent molecules of the substituted imidazolone having different conformations, and one molecule of solvent DMF. The two imidazolone molecules are linked by N—H⋯N and C—H⋯O hydrogen bonds and the DMF is joined to one of these by an N—H⋯O hydrogen bond. Additional N—H⋯N and C—H⋯O hydrogen bonds link these groups into corrugated layers parallel to the (101) plane with the layers joined by C—H⋯π (ring) interactions. A Hirshfeld surface analysis indicated that H⋯H interactions account for over half of the intermolecular contacts.

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5,5-二苯基-2-[2-（丙基-2-酰基）肼-1-酰基]-4,5-二氢- 1h -咪唑-4-一N，N-二甲基甲酰胺半磺酸盐的合成、晶体结构和Hirshfeld表面分析。

标题结构的不对称单元2C18H18N4O2·C3H7NO由两个不同构象的独立取代咪唑酮分子和一个溶剂DMF分子组成。两个咪唑酮分子由N- h⋯N和C-H⋯O氢键连接，DMF通过N- h⋯O氢键与其中一个连接。额外的N- h⋯N和C-H⋯O氢键将这些基团连接成平行于（101）平面的波纹层，这些层由C-H⋯π（环）相互作用连接。Hirshfeld表面分析表明，H⋯H相互作用占分子间接触的一半以上。

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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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.

Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-2-[2-(propan-2-yl­idene)hydrazin-1-yl]-4,5-di­hydro-1H-imidazol-4-one N,N-di­methyl­formamide hemisolvate

Abstract

Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-2-[2-(propan-2-ylidene)hydrazin-1-yl]-4,5-dihydro-1H-imidazol-4-one N,N-dimethylformamide hemisolvate