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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, C(28)H(42)N(2)O(4)·0.19H(2)O, 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 pla...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254529/ https://www.ncbi.nlm.nih.gov/pubmed/22259475 http://dx.doi.org/10.1107/S1600536811053542 |
Sumario: | In the title hexahydropyrimidine derivative, C(28)H(42)N(2)O(4)·0.19H(2)O, 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. |
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