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Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-dimethylphenyl)hydrazinylidene]benzofuran-2(3H)-one
In the title compound, C(16)H(14)N(2)O(2), the 2,3-dihydro-1-benzofuran ring system is essentially planar and makes a dihedral angle of 3.69 (7)° with the dimethylphenyl ring. The molecular conformation is stabilized by an intramolecular N—H⋯O hydrogen bond with an S(6) ring motif. In the crys...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647749/ https://www.ncbi.nlm.nih.gov/pubmed/34925898 http://dx.doi.org/10.1107/S2056989021011749 |
Sumario: | In the title compound, C(16)H(14)N(2)O(2), the 2,3-dihydro-1-benzofuran ring system is essentially planar and makes a dihedral angle of 3.69 (7)° with the dimethylphenyl ring. The molecular conformation is stabilized by an intramolecular N—H⋯O hydrogen bond with an S(6) ring motif. In the crystal, molecules are connected by C—H⋯π and π–π stacking interactions, forming a layer lying parallel to the (11 [Image: see text] ) plane. One methyl group is disordered over two orientations, with occupancies of 0.67 (4) and 0.33 (4). Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (51.2%), O⋯H/H⋯O (17.9%), C⋯H/H⋯C (15.2%) and C⋯C (8.1%) contacts. |
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