Cargando…
Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one
In the title compound, C(13)H(14)N(2)O(3), the dihydropyridazine ring (r.m.s. deviation = 0.166 Å) has a screw-boat conformation. The dihedral angle between its mean plane and the benzene ring is 0.77 (12)°. In the crystal, intermolecular O—H⋯O hydrogen bonds generate C(5) chains and N—H⋯O hydroge...
Autores principales: | , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829713/ https://www.ncbi.nlm.nih.gov/pubmed/31709099 http://dx.doi.org/10.1107/S2056989019014130 |
Sumario: | In the title compound, C(13)H(14)N(2)O(3), the dihydropyridazine ring (r.m.s. deviation = 0.166 Å) has a screw-boat conformation. The dihedral angle between its mean plane and the benzene ring is 0.77 (12)°. In the crystal, intermolecular O—H⋯O hydrogen bonds generate C(5) chains and N—H⋯O hydrogen bonds produce R (2) (2)(8) motifs. These types of interactions lead to the formation of layers parallel to (12[Image: see text]). The three-dimensional network is achieved by C—H⋯O interactions, including R (2) (4)(8) motifs. Intermolecular interactions were additionally investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots. The most significant contributions to the crystal packing are by H⋯H (43.3%), H⋯C/C⋯H (19.3%), H⋯O/H⋯O (22.6%), C⋯N/N⋯C (3.0%) and H⋯N/N⋯H (5.8%) contacts. C—H⋯π interactions and aromatic π–π stacking interactions are not observed. |
---|