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6-Amino-2,5-bis­(pivaloylamino)pyrimidin-4(3H)-one dihydrate

The asymmetric unit of the title compound, C(14)H(23)N(5)O(3)·2H(2)O, contains two crystallographically independent 6-amino-2,5-bis­(pivaloylamino)pyrimidin-4(3H)-one mol­ecules (A and B) with similar geometry and four water mol­ecules. In both independent mol­ecules, one of the amide groups is almo...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Balasubramani, Kasthuri, Hazra, Anita, Kumar Das, Manas, Goswami, Shyamaprosad
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969306/
https://www.ncbi.nlm.nih.gov/pubmed/21582786
http://dx.doi.org/10.1107/S1600536809019461
Descripción
Sumario:The asymmetric unit of the title compound, C(14)H(23)N(5)O(3)·2H(2)O, contains two crystallographically independent 6-amino-2,5-bis­(pivaloylamino)pyrimidin-4(3H)-one mol­ecules (A and B) with similar geometry and four water mol­ecules. In both independent mol­ecules, one of the amide groups is almost coplanar with the pyrimidine ring [dihedral angle of 12.85 (9) in A and 12.30 (10)° in B], whereas the other amide group is significantly twisted away from it [dihedral angle is 72.18 (7) in A and 71.29 (7)° in B]. In each independent mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. Mol­ecules A and B are linked into chains along the a axis by N—H⋯O and C—H⋯O hydrogen bonds. Adjacent chains are linked into a two-dimensional network parallel to the ac plane by water mol­ecules via N—H⋯O and O—H⋯O hydrogen bonds.