Co-crystallization of a neutral molecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1H-pyrazol-3-yl)-2-phenyl-2,3-dihydro-1H-pyrazol-3-one 5-methyl-4-(5-methyl-1H-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-1-ide monohydrate

• Main Authors: Asiri, Abdullah M., Alzahrani, Khalid A. H., Faidallah, Hassan M., Alamry, Khalid A., Jotani, Mukesh M., Tiekink, Edward R. T. *
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019
• Subjects: QD Chemistry
• Online Access: http://eprints.sunway.edu.my/1015/1/Tiekink%20Co%20Crystallization%20of%20a%20neutral%20molecule%20Acta%20Cryst%202019%20E75%20565.pdf; http://eprints.sunway.edu.my/1015/; http://doi.org/10.1107/S2056989019004389

The title compound, 2C14H14N4OH2O, comprises a neutral molecule containing a central pyrazol-3-one ring flanked by an N-bound phenyl group and a C-bound 5-methyl-1H-pyrazol-3-yl group (at positions adjacent to the carbonyl substituent), its zwitterionic tautomer, whereby the N-bound proton of the c...