Crystal structure of N-[(8E)-12-methyl-14-phenyl-10,13,14,16-tetraazatetra-cyclo[,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-yl-idene]hydroxylamine 1,4-dioxane hemisolvate

Shaaban K Mohamed, Joel T Mague, Mehmet Akkurt, Talaat I. El-Emary, Mustafa R. Albayati, W. T A Harrison (Editor)

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In the title solvate, C19H13N5O·0.5C4H8O2, 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].

Original languageEnglish
Pages (from-to)o75-o76
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Issue number2
Early online date3 Jan 2015
Publication statusPublished - 1 Feb 2015


  • Crystal structure
  • Hydrogen bonding
  • Oximes
  • Pyrazinopyrazoles
  • π-π stacking


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