10-Phenyl-10H-phenoxazine-4,6-diol tetrahydrofuran monosolvate
| Autor: | Aislinn C. Whalen, Claudia Hernandez Brito, Kyoung H. Choi, Ellen J. T. Warner, David A. Thole, Michael R. Gau, Patrick J. Carroll, Mitchell R. Anstey |
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| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: | |
| Zdroj: | IUCrData, Vol 5, Iss 9, p x201276 (2020) |
| Druh dokumentu: | article |
| ISSN: | 2414-3146 24143146 |
| DOI: | 10.1107/S2414314620012766 |
| Popis: | In the crystalline state of the title solvate, C18H13NO3·C4H8O, 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). |
| Databáze: | Directory of Open Access Journals |
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