luliconazole的晶体结构。

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-01-01 DOI:10.1107/S2056989024011812

Anna Ben , Lilianna Chęcińska

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引用次数: 0

摘要

luliconazole {LCZ的晶体结构C14H9Cl2N3S2;报道了系统名称：(E)-[(4R)-4-（2,4-二氯苯基）-1,3-二硫代氨基-2-基]（1h -咪唑-1-基）乙酰腈}。在标题化合物分子中，二硫烷环呈包络构象，二氯苯基环呈无序构象。在luliconazole的晶体填料中，只观察到两个分子间的C-H⋯N氢键。Hirshfeld表面分析显示，最主要的接触是H⋯N/N⋯H， H⋯Cl/Cl⋯H， H⋯H和C⋯H/H⋯C。

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Crystal structure of luliconazole

The crystal structure of luliconazole (LCZ) has been determined. The dithiolane ring adopts an envelope conformation. In the crystal, two intermolecular C—H⋯N hydrogen bonds are observed.

The crystal structure of luliconazole {LCZ; C₁₄H₉Cl₂N₃S₂; systematic name: (E)-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene](1H-imidazol-1-yl)acetonitrile} is reported. In the molecule of the title compound, the dithiolane ring adopts an envelope conformation, while the dichlorophenyl ring exhibits disorder. In the crystal packing of luliconazole, only two intermolecular C–H⋯N hydrogen bonds are observed. Hirshfeld surface analysis reveals that the most dominant contacts are H⋯N/N⋯H, H⋯Cl/Cl⋯H, H⋯H and C⋯H/H⋯C.

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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.