Syntheses and crystal structures of three salts of sparfloxacin, one incorporating extended tapes of fused penta­gonal water assemblies

Shankara Prasad, H. J. and Devaraju and Vinaya and Basavaraju, Y. B. and Yathirajan, H. S. and Parkin, Sean (2022) Syntheses and crystal structures of three salts of sparfloxacin, one incorporating extended tapes of fused penta­gonal water assemblies. Acta Crystallographica Section E, 78 (12). pp. 1257-1264. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S2056989022011239

Abstract

Three organic salts of sparfloxacin, a difluorinated third-generation fluoro­quinolone anti­biotic, have been synthesized and their crystal structures determined. The salts, sparfloxacinium 4-nitro­benzoate dihydrate, C19H23F2N4O3+·C7H4NO4−·2H2O (I), sparfloxacinium 2-phenyl­acetate, C19H23F2N4O3+·C8H7O2− (II), and sparfloxacinium 4-methyl­benzoate trihydrate, C19H23F2N4O3+·C8H7O2−·3H2O (III), exhibit similar inter-species packing inter­actions. The overall crystal structures each, however, have their own distinct characteristics, which are described here along with a Hirshfeld surface analysis of the various atom–atom contacts involving the sparfloxacinium cations. In the crystal structure of III, an extended supra­molecular tape of edge-fused hydrogen-bonded water penta­gons was found. These penta­gonal water and tape motifs are compared to related constructs in a broad selection of structure types, ranging from macromolecules to small mol­ecules, clathrates, and exotic `ice' formations on clean metal surfaces.

Item Type: Article
Uncontrolled Keywords: sparfloxacin, sparfloxacinium salt, hydrogen bonding, water pentagons, pi-pi stacking, crystal structure
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 01 Dec 2022 05:12
Last Modified: 01 Dec 2022 05:12
URI: http://eprints.uni-mysore.ac.in/id/eprint/17420

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