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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...

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Detalles Bibliográficos
Autores principales: Whalen, Aislinn C., Hernandez Brito, Claudia, Choi, Kyoung H., Warner, Ellen J. T., Thole, David A., Gau, Michael R., Carroll, Patrick J., Anstey, Mitchell R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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
Descripción
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]