Crystal structure of N-[(8E)-12-methyl-14-phenyl-10,13,14,16-tetra­aza­tetra­cyclo­[7.7.0.0(2,7).0(11,15)]hexa­deca-1(16),2,4,6,9,11(15),12-heptaen-8-yl­idene]hydroxyl­amine 1,4-dioxane hemisolvate

In the title solvate, C(19)H(13)N(5)O·0.5C(4)H(8)O(2), the main mol­ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.066 Å). The hydroxyl­amine group is disordered over two orientations in a 0.761 (4):0.239 (4) ratio. The complete dioxane solvent mol­ecule is generated by a crystallo...

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Detalles Bibliográficos
Autores principales: Mohamed, Shaaban K., Mague, Joel T., Akkurt, Mehmet, El-Emary, Talaat I., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384549/
https://www.ncbi.nlm.nih.gov/pubmed/25878879
http://dx.doi.org/10.1107/S2056989014027285
Descripción
Sumario:In the title solvate, C(19)H(13)N(5)O·0.5C(4)H(8)O(2), the main mol­ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.066 Å). The hydroxyl­amine group is disordered over two orientations in a 0.761 (4):0.239 (4) ratio. The complete dioxane solvent mol­ecule is generated by a crystallographic inversion centre. In the crystal, both disorder components of the hydroxyl­amine 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 mol­ecules. Aromatic π–π stacking is also observed [shortest centroid–centroid separation = 3.3394 (19) Å].

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