Crystal Structure, Hirshfeld Surface Analysis and DFT Studies of 6-[(E)-2-(Thio-Phen-2-yl)ethenyl]-4,5-Di-Hydro-Pyridazin-3(2 H)-one

Abstract

In the title compound, C10H10N2OS, the five atoms of the thiophene ring are essentially coplanar (r.m.s. deviation = 0.0037Å) and the pyridazine ring is non-planar. In the crystal, pairs of N - H⋯O hydrogen bonds link the molecules into dimers with an R 2 2(8) ring motif. The dimers are linked by C - H⋯O interactions, forming layers parallel to the bc plane. The theoretical geometric parameters are in good agreement with XRD results. The intermolecular interactions were investigated using a Hirshfeld surface analysis and two-dimensional fingerprint plots. The Hirshfeld surface analysis of the title compound suggests that the most significant contributions to the crystal packing are by H⋯H (39.7%), C⋯H/H⋯C (17.3%) and O⋯H/H⋯O (16.8%) contacts. © Acta Cryst. 2019.