1-[(2-Bromophenyl)diphenylmethyl]-3-(trifluoromethyl)-1H-pyrazole–1-(triphenylmethyl)-3-(trifluoromethyl)-1H-pyrazole (0.638:0.362)

IUCrData Pub Date : 2025-06-01 DOI:10.1107/S2414314625004663

Firudin I. Guseinov , Aida I. Samigullina , Tuncer Hökelek , Sahil Z. Hamidov , Jamal Lasri , Khudayar I. Hasanov , Tahir A. Javadzade , Alebel N. Belay

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Abstract

In the title disordered co-crystal, C—H⋯Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R²₂(16) ring motifs.

In the title compound, 0.638C₂₃H₁₆BrF₃N₂·0.362C₂₃H₁₇F₃N₂, the Br atom has been partially replaced by an H atom by reaction with NaH. In the crystal, pairwise C—H⋯Br hydrogen bonds link the molecules into centrosymmetric dimers, enclosing R²₂(16) ring motifs. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (40.1%), H⋯F/F⋯H (21.4%) and H⋯C/C⋯H (18.9%) interactions.

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1 - [(2-Bromo-phen-yl) di-phenyl-meth-yl] 3 - (tri-fluorometh-yl) 1 h-pyrazole-1 - (tri-phenyl-meth-yl) 3 - (tri-fluoro-meth-yl) 1 h-pyrazole(0.638:0.362)。

在标题化合物0.638C23H16BrF3N2·0.362C23H17F3N2中，通过与NaH的反应，Br原子部分被H原子取代。在晶体中，成对的C-H⋯Br氢键将分子连接成中心对称的二聚体，包围r22（16）环基序。Hirshfeld表面分析表明，对晶体堆积最重要的贡献是H⋯H (40.1%), H⋯F/F⋯H（21.4%）和H⋯C/C⋯H（18.9%）相互作用。

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