title: 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].
authors: Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
authors: Shaaban K
authors: SK
authors: Mohamed
authors: Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
authors: Joel T
authors: JT
authors: Mague
authors: Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
authors: Mehmet
authors: M
authors: Akkurt
authors: Department of Chemistry, Faculty of Science, Assiut University, 71515 Assiut, Egypt.
authors: Talaat I
authors: TI
authors: El-Emary
authors: Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.
authors: Mustafa R
authors: MR
authors: Albayati
keywords: crystal strcuture; hydrogen bonding; oximes; pyrazino­pyrazoles; π–π stacking