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N-(3-氟苯甲酰基)苯磺酰胺和N-(3-氟苯甲酰基)-4-甲基苯磺酰胺的晶体结构

Crystal structures of N-(3-fluoro-benzo-yl)benzene-sulfonamide and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide.

作者信息

Suchetan P A, Naveen S, Lokanath N K, Lakshmikantha H N, Srivishnu K S, Supriya G M

机构信息

Department of Chemistry, University College of Science, Tumkur University, Tumkur 572 103, India.

Institution of Excellence, University of Mysore, Manasagangotri, Mysuru-6, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Mar 2;72(Pt 4):428-31. doi: 10.1107/S2056989016003248. eCollection 2016 Apr 1.

Abstract

The crystal structures of two N-(aryl-sulfon-yl)aryl-amides, namely N-(3-fluoro-benzo-yl)benzene-sulfonamide, C13H10FNO3S, (I), and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide, C14H12FNO3S, (II), are described and compared with related structures. The dihedral angle between the benzene rings is 82.73 (10)° in (I) compared to 72.60 (12)° in (II). In the crystal of (I), the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional grid-like architecture, while C-H⋯O inter-actions lead to one-dimensional ribbons in (II). The crystals of both (I) and (II) feature strong but non-structure-directing N-H⋯O hydrogen bonds with R 2 (2)(8) ring motifs. The structure of (I) also features π-π stacking inter-actions.

摘要

描述了两种N-(芳基磺酰基)芳基酰胺的晶体结构,即N-(3-氟苯甲酰基)苯磺酰胺,C₁₃H₁₀FNO₃S,(I),和N-(3-氟苯甲酰基)-4-甲基苯磺酰胺,C₁₄H₁₂FNO₃S,(II),并与相关结构进行了比较。(I)中苯环之间的二面角为82.73 (10)°,而(II)中为72.60 (12)°。在(I)的晶体中,分子通过C-H⋯O和C-H⋯π相互作用相连,形成三维网格状结构,而在(II)中C-H⋯O相互作用导致一维带状结构。(I)和(II)的晶体都具有强但非结构导向的N-H⋯O氢键,其具有R 2 (2)(8)环模式。(I)的结构还具有π-π堆积相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dda7/4910323/2dee57d29d32/e-72-00428-fig1.jpg

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