10-Phenyl-10H-phenoxazine-4,6-diol tetra-hydro-furan monosolvate.

ABSTRACT: In the crystalline state of the title solvate, C₁₈H₁₃NO₃·C₄H₈O, 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) 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 mol-ecules, with a centroid-to-centroid distance of 3.6355 (11) Å. 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).

SUBMITTER: Whalen AC 

PROVIDER: S-EPMC9462277 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature