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

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Mohamed S. K., Mague J. T., AKKURT M., El-Emary T. I., Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (ESCI)

• Publication Type: Article / Article
• Volume: 71
• Publication Date: 2015
• Doi Number: 10.1107/s2056989014027285
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Erciyes University Affiliated: Yes

Abstract

In the title solvate, C19H13N5O center dot 0.5C(4)H(8)O(2), the main molecule is almost planar (r.m.s. deviation for the non-H atoms = 0.066 angstrom). 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 center dot center dot center dot N hydrogen bonds to the same N-atom acceptor, thereby generating [010] chains. The chains encompass [010] channels occupied by the solvent molecules. Aromatic pi-pi stacking is also observed [shortest centroid-centroid separation = 3.3394 (19) angstrom].