N′-(1,3-Benzothiazol-2-yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry

N′-(1,3-Benzothiazol-2-yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry

The asymmetric unit of the title compound, C13H11N3O2S2, comprises two independent molecules (A and B); the crystal structure was determined by employing synchrotron radiation. The molecules exhibit essentially the same features with an almost planar benzothiazole ring (r.m.s. deviation = 0.026 and...

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Bibliographic Details
Main Authors: Thomas C. Baddeley, Marcus V. N. de Souza, James L. Wardell, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2019-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
benzothiazole
sulfonylhydrazinyl
hydrogen bonding
Hirshfeld surface analysis
computational chemistry
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019003980

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http://scripts.iucr.org/cgi-bin/paper?S2056989019003980

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