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2-氟-N-邻甲苯基苯甲酰胺

2-Fluoro-N-o-tolyl-benzamide.

作者信息

Saeed Aamer, Khera Rasheed Ahmad, Ameen Shahid, Simpson Jim, Stanley Roderick G

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 24;65(Pt 1):o201. doi: 10.1107/S1600536808043122.

Abstract

In the title compound, C(14)H(12)FNO, the ortho-F atom and corresponding H atom on the fluoro-benzene ring are disordered over two positions with occupancies of 0.856 (4) and 0.144 (4). The amide unit is planar with a maximum deviation of 0.0057 (16) Å and the amide plane makes dihedral angles of 38.27 (11)° with the fluoro-benzene ring plane and 37.53 (10)° with the tolyl ring. The two benzene rings are inclined at an angle of 4.17 (15)°. In the crystal structure, chains form along b through N-H⋯O hydrogen bonds augmented by C-H⋯π inter-actions. Additional inter-molecular C-H⋯O and C-H⋯F hydrogen bonds further stabilize the structure, forming layers in the ac plane.

摘要

在标题化合物C(14)H(12)FNO中,氟苯环上的邻位氟原子和相应的氢原子在两个位置上无序分布,占有率分别为0.856 (4)和0.144 (4)。酰胺单元呈平面状,最大偏差为0.0057 (16) Å,酰胺平面与氟苯环平面的二面角为38.27 (11)°,与甲苯基环的二面角为37.53 (10)°。两个苯环倾斜角度为4.17 (15)°。在晶体结构中,通过N-H⋯O氢键并辅以C-H⋯π相互作用,沿b轴形成链状结构。额外的分子间C-H⋯O和C-H⋯F氢键进一步稳定了结构,在ac平面上形成层状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e183/2968107/1caefe7ca4ea/e-65-0o201-fig1.jpg

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