Cargando…
1,3-Bis(3-tert-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate
The asymmetric unit of the title compound, C(28)H(42)N(2)O(5)·H(2)O, consists of one half of the organic molecule and one half-molecule of water, both of which are located on a mirror plane which passes through the central C atoms and the hydroxyl group of the heterocyclic system. The hydroxyl gro...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051104/ https://www.ncbi.nlm.nih.gov/pubmed/24940265 http://dx.doi.org/10.1107/S1600536814010769 |
Sumario: | The asymmetric unit of the title compound, C(28)H(42)N(2)O(5)·H(2)O, consists of one half of the organic molecule and one half-molecule of water, both of which are located on a mirror plane which passes through the central C atoms and the hydroxyl group of the heterocyclic system. The hydroxyl group at the central ring is disordered over two equally occupied positions. The six-membered ring adopts a chair conformation, and the 2-hydroxybenzyl substituents occupy the sterically preferred equatorial positions. The aromatic rings make dihedral angles of 75.57 (9)° with the mean plane of the heterocyclic ring. The dihedral angle between the two aromatic rings is 19.18 (10)°. The molecular structure features two intramolecular phenolic O—H⋯N hydrogen bonds with graph-set motif S(6). In the crystal, molecules are connected via O—H⋯O hydrogen bonds into zigzag chains running along the a-axis direction. |
---|