Investigation of the crystal structures and hirshfeld surfaces of three closely related N-(2-fluorobenzoyl)-arylsulfonamides

Suchetan, P. A. and Supriya, G. M. R. and Srivishnu, K. S. and Lakshmikantha, H. N. and Naveen, S. and Lokanath, N. K. (2016) Investigation of the crystal structures and hirshfeld surfaces of three closely related N-(2-fluorobenzoyl)-arylsulfonamides. Zeitschrift für Kristallographie - Crystalline Materials, 231 (6). pp. 375-384. ISSN 2196-7105

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The investigation of the crystal structures of three closely related sulfonamides, namely N-(2-fluorobenzoyl)-2-methylbenzenesulfonamide (I), N-(2-fluorobenzoyl)-4-methylbenzenesulfonamide (II) and N-(2-fluorobenzoyl)-2-chlorobenzenesulfonamide (III) by analysing intermolecular interactions and the packing patterns, and also by Hirshfeld surface analyses is presented. Compound (I) has a three-dimensional (3D) network, in which N–H···O and C–H···F chains build up two-dimensional (2D) arrays, which are extended into a 3D network through C–H···π interactions. In (II), alternating N–H···O and C–H···O rings form one-dimensional (1D) ribbons, which are interconnected by C–H···π interactions to build a 2D network. In (III), 2D sheets comprising N–H···O rings, C–H···π chains, Cl···F and F···F contacts are stacked by π···π interactions to form a 3D network. Hirshfeld surface analyses, comprising dnorm surfaces, curvedness and 2D fingerprint (FP) plots, for all three molecules were also conducted to verify the importance of the different intermolecular interactions.

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Institution of Excellence
Depositing User: Manjula P Library Assistant
Date Deposited: 28 Jun 2019 06:16
Last Modified: 28 Jun 2019 06:16

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