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

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

The title compound, 2C14H14N4O·H2O, 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...

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Bibliographic Details
Main Authors: Abdullah M. Asiri, Khalid A. H. Alzahrani, Hassan M. Faidallah, Khalid A. Alamry, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2019-05-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
pyrazolone
pyrazole
tautomer
Hirshfeld surface analysis
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019004389

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989019004389

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