title: Crystal structure of 1,3-bis-(3-tert-butyl-2-hy-droxy-5-methyl-benz-yl)-1,3-diazinan-5-ol monohydrate.
abstract: In the title hydrate, C28H42N2O3·H2O, the central 1,3-diazinan-5-ol ring adopts a chair conformation with the two benzyl substituents equatorial and the lone pairs of the N atoms axial. The dihedral angle between the aromatic rings is 19.68 (38)°. There are two intra-molecular O-H⋯N hydrogen bonds, each generating anS(6) ring motif. In the crystal, classical O-H⋯O hydrogen bonds connect the 1,3-diazinane and water mol-ecules into columns extending along thebaxis. The crystal structure was refined as a two-component twin with a fractional contribution to the minor domain of 0.0922 (18).
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Augusto
authors.initials: A
authors.lastname: Rivera
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Ingrid
authors.initials: I
authors.lastname: Miranda-Carvajal
authors.affiliation: Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, Código Postal 111321, Colombia.
authors.forename: Jaime
authors.initials: J
authors.lastname: Ríos-Motta
authors.affiliation: Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von Laue-Strasse 7, 60438 Frankfurt/Main, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Bolte
keywords: 1,3-diazinane; crystal structure; hexa­hydro­pyrimidine; hydrogen bond