In the crystalline state of the title solvate, C(18)H(13)NO(3)·C(4)H(8)O, hydrogen-bonding inter-actions between hydroxyl groups on a phenoxazine backbone and the tetra-hydro-furan solvent are observed that suggest the ability for this compound to act as a chelating ligand. The Oâ¯O donor-acceptor distances for this hydrogen bonding are 2.7729â (15) and 2.7447â (15)â à . The three-ring backbone of the phenoxazine bends out of planarity by 18.92â (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 Ï-Ï stacking arrangement exists between inversion-related mol-ecules, with a centroid-to-centroid distance of 3.6355â (11)â à . In the disordered tetra-hydro-furan solvate, all atoms except oxygen were modeled over two positions, with occupancies of 0.511â (8) and 0.489â (8).
10-Phenyl-10H-phenoxazine-4,6-diol tetra-hydro-furan monosolvate.
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作者: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
| 期刊: | IUCrdata | 影响因子: | 0.000 |
| 时间: | 2020 | 起止号: | 2020 Sep 25; 5(Pt 9):x201276 |
| doi: | 10.1107/S2414314620012766 | ||
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