organic compounds
Open access
6,6′-Di-tert-butyl-4,4′-dimethoxy-2,2′-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate
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—HN hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure.
organic compounds
Open access
In the molecule of the title compound, C20H26N2O2, the 1,3-diazinane ring adopts a slightly distorted chair conformation and the hydroxybenzyl substituents occupy equatorial positions on the N atoms of the heterocyclic ring. There are two intramolecular O—HN hydrogen bonds between the N atoms of the 1,3-diazinane ring and the hydroxy groups of the aromatic rings, with an S(6) set-graph motif. However, the two observed intramolecular hydrogen-bond distances were different. Considering that both N atoms experience the same chemical environment, it is surprising to see the difference in ON distances [2.6771 (14) and 2.8123 (12) Å]. The crystal structure is further stabilized by a C—Hπ interaction.