[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][CIF check Report][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o191-o192  [ doi:10.1107/S1600536811053542 ]

6,6'-Di-tert-butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate

A. Rivera, D. M. González, J. Ríos-Motta, K. Fejfarová and M. Dusek

Abstract: In the title hexahydropyrimidine derivative, C28H42N2O4·0.19H2O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic molecule and a solvent water molecule with occupany 0.095. The molecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water molecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71 (3)°. Two intramolecular O-H...N hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure.

Online 21 December 2011


Copyright © International Union of Crystallography
IUCr Webmaster