Abstract
In the title molecular salt, C13H12N3O2+·Cl−, the oxazolyl ring is disordered over two orientations in a 0.536 (15):0.464 (15) ratio, both of which approximate to envelopes with the N atom as the flap in each case. The cation and anion are linked by a charge-assisted N—H...Cl hydrogen bond. In the extended structure, C—H...N, C—H...O and C—H...Cl interactions link the components into a three-dimensional network.
Publisher
International Union of Crystallography (IUCr)
Subject
Rehabilitation,Physical Therapy, Sports Therapy and Rehabilitation,General Medicine
Cited by
1 articles.
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1. A new synthetic route for the preparation of 2,2′,5′‐trimethyl‐7‐oxo‐4,7‐dihydro‐[6,7′‐bipyrazolo[1,5‐
a
]pyrimidine]‐3,3′‐dicarbonitrile, structural elucidation, Hirshfeld surface analysis, energy framework, density functional theory and molecular docking investigations;Journal of the Chinese Chemical Society;2022-03-09