Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one

Abstract

In the title com­pound, inter­molecular C—H⋯O, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network.

Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl}ethenyl)-4,5-dihydropyridazin-3(2H)-one

“…The bond lengths in the N1-C15 chain (Table 1) are consistent with an alternation of double and single bonds while those in the amide fragment indicate strong -conjugation. The N1-N2 distance of 1.406 (4) A ˚agrees well with the values for related pyridazinones (Daoui, C ¸ınar et al, 2019;Daoui, Baydere et al, 2019). The conformation of the dihydropyridazine ring is close to a screw-boat [Â = 111.9 (6) , ' = 34.6 ( 6) ].…”

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

“…The title compound was synthesized according to a previously published procedure (Daoui et al, 2019(Daoui et al, , 2021. All interactions with percentage contributions.…”

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one

“…These techniques have become very reliable in predicting the properties of molecules with great precision [26] , [27] , [28] , [29] , [30] . In a continuation of our efforts to obtain new pyridazin-3( 2H )-one compounds [ 21 , [31] , [32] , [33] ], we were inspired to design and synthesize ( E )−4-(4-methylbenzyl)−6-styrylpyridazin-3( 2H )-one ( MBSP ). The chemical structure attributed to the title molecule was characterized using FT-IR, UV–vis, 1 H NMR, 13 C NMR, ESI-MS, and the ( E )-configuration was confirmed by single-crystal X-ray diffraction.…”