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
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 O⋯O donor-acceptor distances for this hydrogen bonding are 2.7729†(15) and 2.7447†(15)†à . 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 mol-ecules, with a centroid-to-centroid distance of 3.6355†(11)†à . In the disordered tetra-hydro-furan solvate, all atoms except oxygen were modeled over two positions, with occupancies of 0.511†(8) and 0.489†(8).

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