Crystal structure of (E)-3-({6-[2-(4-chloro-phen-yl)ethen-yl]-3-oxo-2,3-di-hydro-pyridazin-4-yl}meth-yl)pyridin-1-ium chloride dihydrate

Acta Crystallogr E Crystallogr Commun. 2022 Mar 31;78(Pt 4):458-462. doi: 10.1107/S2056989022003346. eCollection 2022 Apr 1.

Abstract

In the title compound, C18H15ClN3O+·Cl-·2H2O, three intra-mol-ecular hydrogen bonds are observed, N-H⋯O, O-H⋯Cl and O-H⋯O. In the crystal, mol-ecules are connected by C-H⋯Cl and N-H⋯O hydrogen bonds. Strong C-H⋯Cl, N-H⋯O, O-H⋯Cl and O-H⋯O hydrogen-bonding inter-actions are implied by the Hirshfeld surface analysis, which indicate that H⋯H contacts make the largest contribution to the overall crystal packing at 33.0%.

Keywords: Hirshfeld surfaces; crystal structure; hydrogen bonding; pyridazine; pyridazinone derivative.

Grants and funding

This work was funded by Funding for this research was provided by: Ondokuz May?is University under Project No. PYO.FEN.1906.19.001.