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5-Acetyl-4-(3-hy­droxy­phen­yl)-6-methyl-1,2,3,4-tetra­hydro­pyrimidin-2-one–tris­(hy­droxy­meth­yl)ammonium chloride (2/1)

The asymmetric unit of the title compound, 2C(13)H(14)N(2)O(3)·C(3)H(10)NO(3) (+)·Cl(−), contains two independent mol­ecules (A and B) of the title pyrimidine derivative and one ion-pair of tris­(hy­droxy­meth­yl)ammonium chloride. The pyrimidine ring in each pyrimidine derivative has a half-chair c...

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Detalles Bibliográficos
Autores principales: Huq, C. A. M. A., Fouzia, S., NizamMohideen, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885040/
https://www.ncbi.nlm.nih.gov/pubmed/24454216
http://dx.doi.org/10.1107/S1600536813030559
Descripción
Sumario:The asymmetric unit of the title compound, 2C(13)H(14)N(2)O(3)·C(3)H(10)NO(3) (+)·Cl(−), contains two independent mol­ecules (A and B) of the title pyrimidine derivative and one ion-pair of tris­(hy­droxy­meth­yl)ammonium chloride. The pyrimidine ring in each pyrimidine derivative has a half-chair conformation. Its mean plane is inclined to the benzene ring by 87.2 (3)° in mol­ecule A and 85.7 (2)° in mol­ecule B. In the crystal, the pyrimidine derivatives are connected to each other by N—H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked via O—H—Cl hydrogen bonds, forming corrugated sheets lying parallel to the bc plane. The sheets are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework. The tris­(hy­droxy­meth­yl)ammonium chloride mol­ecules are located in the cages of the framework. There are also further C—H⋯O hydrogen bonds and C—H⋯π inter­actions present in the three-dimensional framework structure. Both the cation and chloride anion of the tris­(hy­droxy­meth­yl)ammonium chloride ion pair are disordered over two positions, with a refined occupancy ratio of 0.418 (8):0.582 (8) for the cation and 0.71 (4):0.29 (4) for the anion.