Journal
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Volume 72, Issue -, Pages 1353-+Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989016013645
Keywords
crystal structure; hexahydropyrimidine; 1,3-diazinane; hydrogen bond
Categories
Funding
- Direccion de Investigaciones, Sede Bogota (DIB) de la Universidad Nacional de Colombia [28427]
- COLCIENCIAS
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In the title hydrate, C28H42N2O3 center dot 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)degrees. There are two intramolecular O-H center dot center dot center dot N hydrogen bonds, each generating an S(6) ring motif. In the crystal, classical O-H center dot center dot center dot O hydrogen bonds connect the 1,3-diazinane and water molecules into columns extending along the b axis. The crystal structure was refined as a two-component twin with a fractional contribution to the minor domain of 0.0922 (18).
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