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5-乙酰基-2-氨基-4-(2-氟苯基)-6-甲基-4-吡喃-3-甲腈二氯甲烷半溶剂化物

5-Acetyl-2-amino-4-(2-fluoro-phen-yl)-6-methyl-4-pyran-3-carbo-nitrile dichlo-methane hemisolvate.

作者信息

Nyapola Carren, Zamisa Sizwe J, Omondi Bernard, Njogu Eric M

机构信息

University of KwaZulu-Natal, School of Chemistry and Physics, Private bag X54001, Durban, 4000, South Africa.

Multimedia University of Kenya, PO Box 15653-00503, Nairobi, Kenya.

出版信息

IUCrdata. 2025 Apr 24;10(Pt 4):x250337. doi: 10.1107/S2414314625003372. eCollection 2025 Apr.

DOI:10.1107/S2414314625003372
PMID:40337316
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12054746/
Abstract

The title compound, 2CHFNO·CHCl, crystallizes with two main mol-ecules in the asymmetric unit with a disordered di-chloro-methane solvent mol-ecule. The dihedral angles between the fluoro phenyl ring and 4-pyran ring are 74.36 (15) and 80.69 (15)° in the two mol-ecules. In the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional supra-molecular network propagating in the (100) plane.

摘要

标题化合物2CHFNO·CHCl在不对称单元中含有两个主要分子以及一个无序的二氯甲烷溶剂分子。在这两个分子中，氟苯环与4-吡喃环之间的二面角分别为74.36 (15)°和80.69 (15)°。在晶体中，N-H⋯N和N-H⋯O氢键将分子连接成一个在(100)平面上扩展的二维超分子网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e3d/12054746/85dcb8310c15/x-10-x250337-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e3d/12054746/7ab0db2d0e48/x-10-x250337-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e3d/12054746/85dcb8310c15/x-10-x250337-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e3d/12054746/7ab0db2d0e48/x-10-x250337-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5e3d/12054746/85dcb8310c15/x-10-x250337-fig2.jpg

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