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10-Phenyl-10H-phenoxazine-4,6-diol tetrahydrofuran monosolvate
In the crystalline state of the title solvate, C(18)H(13)NO(3)·C(4)H(8)O, hydrogen-bonding interactions between hydroxyl groups on a phenoxazine backbone and the tetrahydrofuran solvent are observed that suggest the ability for this compound to act as a chelating ligand. The O⋯O donor–acceptor di...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462277/ https://www.ncbi.nlm.nih.gov/pubmed/36338911 http://dx.doi.org/10.1107/S2414314620012766 |
Sumario: | In the crystalline state of the title solvate, C(18)H(13)NO(3)·C(4)H(8)O, hydrogen-bonding interactions between hydroxyl groups on a phenoxazine backbone and the tetrahydrofuran solvent are observed that suggest the ability for this compound to act as a chelating ligand. The O⋯O donor–acceptor distances for this hydrogen bonding are 2.7729 (15) and 2.7447 (15) Å. The three-ring backbone of the phenoxazine bends out of planarity by 18.92 (3)°, as computed using mean planes that encompass each half of the three-ring structure, with the central N and O atoms forming the line of flexion. In the crystal, a π–π stacking arrangement exists between inversion-related molecules, with a centroid-to-centroid distance of 3.6355 (11) Å. In the disordered tetrahydrofuran solvate, all atoms except oxygen were modeled over two positions, with occupancies of 0.511 (8) and 0.489 (8). [Image: see text] |
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