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1-[(4-氯苯基)二苯基甲基]-3-(三氟甲基)-1-吡唑的晶体结构

Crystal structure of 1-[(4-chloro-phen-yl)di-phenylyl-meth-yl]-3-(tri-fluoro-meth-yl)-1-pyrazole.

作者信息

Guseinov Firudin I, Afanaseva Ksenia A, A Vil Vera, Ugrak Bogdan I, Samigullina Aida I, Zangrando Ennio, Belay Alebel N

机构信息

Kosygin State University of Russia, 117997 Moscow, Russian Federation.

N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Feb 18;81(Pt 3):235-238. doi: 10.1107/S2056989025001185. eCollection 2025 Mar 1.

DOI:10.1107/S2056989025001185
PMID:40071040
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11891583/
Abstract

The title compound, CHClFN, was synthesized from 3-(tri-fluoro-meth-yl)-1-pyrazole and chloro-(4-chloro-phen-yl)methyl-ene)di-benzene. The structure features intra-molecular (Ph)C-H⋯N and inter-molecular (Ph)C-H⋯F hydrogen bonds, as well as C-H⋯π-ring inter-actions between the phenyl and pyrazole rings.

摘要

标题化合物CHClFN由3-(三氟甲基)-1-吡唑和氯(4-氯苯基)亚甲基二苯合成。其结构具有分子内(Ph)C-H⋯N和分子间(Ph)C-H⋯F氢键，以及苯基和吡唑环之间的C-H⋯π环相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/4041683d46dd/e-81-00235-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/13a7063ef81d/e-81-00235-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/39979ef68c12/e-81-00235-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/4041683d46dd/e-81-00235-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/13a7063ef81d/e-81-00235-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/39979ef68c12/e-81-00235-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e892/11891583/4041683d46dd/e-81-00235-fig3.jpg

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