Crystal structure of N-[(8E)-12-methyl-14-phenyl-10,13,14,16-tetra-aza-tetra-cyclo-[7.7.0.0(2,7).0(11,15)]hexa-deca-1(16),2,4,6,9,11(15),12-heptaen-8-yl-idene]hydroxyl-amine 1,4-dioxane hemisolvate.

ABSTRACT: In the title solvate, C19H13N5O·0.5C4H8O2, the main mol-ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.066 Å). The hydroxyl-amine group is disordered over two orientations in a 0.761 (4):0.239 (4) ratio. The complete dioxane solvent mol-ecule is generated by a crystallographic inversion centre. In the crystal, both disorder components of the hydroxyl-amine group form O-H⋯N hydrogen bonds to the same N-atom acceptor, thereby generating [010] chains. The chains encompass [010] channels occupied by the solvent mol-ecules. Aromatic π-π stacking is also observed [shortest centroid-centroid separation = 3.3394 (19) Å].

SUBMITTER: Mohamed SK 

PROVIDER: S-EPMC4384549 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature