Crystal structure of (E)-3-({6-[2-(4-chlorophenyl)-ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)-pyridin-1-ium chloride dihydrate

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Daoui S., Cinar E. B., DEGE N., Benchat N., Saif E., Karrouchi K.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.458-467, 2022 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 78
• Publication Date: 2022
• Doi Number: 10.1107/s2056989022003346
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.458-467
• Keywords: crystal structure, pyridazine, pyridazinone derivative, hydrogen bonding, Hirshfeld surfaces, PYRIDAZINE, MILD
• Open Archive Collection: AVESIS Open Access Collection
• Ondokuz Mayıs University Affiliated: Yes

Abstract

In the title compound, C18H15ClN3O+center dot Cl-center dot 2H(2)O, three intramolecular hydrogen bonds are observed, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O. In the crystal, molecules are connected by C-H center dot center dot center dot Cl and N-H center dot center dot center dot O hydrogen bonds. Strong C-H center dot center dot center dot Cl, N-H center dot center dot center dot O, O-H center dot center dot center dot Cl and O-H center dot center dot center dot O hydrogen-bonding interactions are implied by the Hirshfeld surface analysis, which indicate that H center dot center dot center dot H contacts make the largest contribution to the overall crystal packing at 33.0%.