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N-（2,3-二氢-1,4-苯并二噁英-6-基）-4-氟苯磺酰胺

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-fluoro-benzene-sulfonamide.

作者信息

Mughal Shumaila Younas, Khan Islam Ullah, Harrison William T A, Khan Muneeb Hayat, Arshad Muhammad Nadeem

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2433. doi: 10.1107/S1600536812030863. Epub 2012 Jul 10.

DOI:10.1107/S1600536812030863
PMID:22904881
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414348/
Abstract

In the title compound, C(14)H(12)FNO(4)S, the dihedral angle between the aromatic rings is 50.26 (9)° and the C-S-N-C bond adopts a gauche conformation [torsion angle = -68.12 (15)°]. The dihydro-dioxine ring is disordered over two orientations, which both approximate to half-chairs, in a 0.880 (7):0.120 (7) ratio. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [100]. Weak C-H⋯O and C-H⋯F inter-actions consolidate the packing.

摘要

在标题化合物C₁₄H₁₂FNO₄S中，芳环之间的二面角为50.26 (9)°，C-S-N-C键呈gauche构象[扭转角 = -68.12 (15)°]。二氢二恶英环在两个取向之间无序，二者均近似半椅式，比例为0.880 (7):0.120 (7)。在晶体中，N-H⋯O氢键将分子连接成沿[100]方向延伸的C(4)链。弱C-H⋯O和C-H⋯F相互作用巩固了堆积结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8720/3414348/ddf9cad17d22/e-68-o2433-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8720/3414348/6c0a87c0c42e/e-68-o2433-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8720/3414348/ddf9cad17d22/e-68-o2433-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8720/3414348/6c0a87c0c42e/e-68-o2433-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8720/3414348/ddf9cad17d22/e-68-o2433-fig2.jpg

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