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4-溴-2-{[2-(5-溴-2-硝基苯基)肼-1-亚基]甲基}-5-氟苯酚的合成、晶体学分析及 Hirshfeld 表面分析

Synthesis, crystallographic analysis and Hirshfeld surface analysis of 4-bromo-2-{[2-(5-bromo-2-nitro-phen-yl)hydrazin-1-yl-idene]meth-yl}-5-fluoro-phenol.

作者信息

Yaman Mavise, Aydemir Ercan, Dege Necmi, Agar Erbil, Iskenderov Turganbay S

机构信息

Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Kurupelit, Samsun, Turkey.

Ondokuz Mayıs University, Faculty of Arts and Sciences, Department of Chemistry, 55139, Samsun, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Oct 19;74(Pt 11):1628-1632. doi: 10.1107/S2056989018014627. eCollection 2018 Nov 1.

Abstract

The title compound, CHBrFNO, is nearly planar with a dihedral angle of 10.6 (4)° between the two benzene rings. Intra-molecular N-H⋯O and O-H⋯N hydrogen bonds occur. In the crystal, the mol-ecules are linked by weak C-H⋯O and C-H⋯Br hydrogen bonds. The roles of the inter-molecular inter-actions in the crystal packing were clarified using Hirshfeld surface analysis.

摘要

标题化合物CHBrFNO几乎呈平面结构,两个苯环之间的二面角为10.6 (4)°。分子内存在N-H⋯O和O-H⋯N氢键。在晶体中,分子通过弱C-H⋯O和C-H⋯Br氢键相连。利用 Hirshfeld 表面分析阐明了分子间相互作用在晶体堆积中的作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4c43/6218898/6cba039371c3/e-74-01628-fig1.jpg

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