Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an ortho­rhom­bic polymorph of 3-amino-1H-pyrazol-2-ium nitrate

Archana, Sreeramapura D. and Kavitha, C. N. and Yathirajan, H. S. and Foro, Sabine and Glidewell, Christopher (2021) Two 3-amino-1H-pyrazol-2-ium salts containing organic anions, and an ortho­rhom­bic polymorph of 3-amino-1H-pyrazol-2-ium nitrate. Acta Crystallographica Section E, 77 (1). pp. 34-41. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S2056989020015959

Abstract

Co-crystallization from methanol of 3-amino-1H-pyrazole with 3,5-di­nitro­benzoic acid produces 3-amino-1H-pyrazol-2-ium 3,5-di­nitro­benzoate monohydrate, C3H6N3+·C7H3N2O6−·H2O, (I), while similar co-crystallization of this pyrazole with an equimolar qu­antity of fumaric acid produces bis­(3-amino-1H-pyrazol-2-ium) fumarate–fumaric acid (1/1), 2C3H6N3+·C4H2O42−·C4H4O4, (II). The reaction of 3-amino-1H-pyrazole with a dilute solution of nitric acid in methanol yields a second, ortho­rhom­bic polymorph of 3-amino-1H-pyrazol-2-ium nitrate, C3H6N3+·NO3−, (III). In each of (I)–(III), the bond distances in the cation provide evidence for extensive delocalization of the positive charge. In each of (I) and (II), an extensive series of O—H⋯O and N—H⋯O hydrogen bonds links the components into complex sheets, while in the structure of (III), the ions are linked by multiple N—H⋯O hydrogen bonds into a three-dimensional arrangement. Comparisons are made with the structures of some related compounds.

Item Type: Article
Uncontrolled Keywords: pyrazoles, organic salts, crystal structures, polymorphism, hydrogen bonding, supramolecular assembly
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: MUL SWAPNA user
Date Deposited: 11 Dec 2020 10:25
Last Modified: 11 Dec 2020 10:25
URI: http://eprints.uni-mysore.ac.in/id/eprint/12136

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