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N-[2-(2,2-Di­methyl­propanamido)­pyrimidin-4-yl]-2,2-di­methyl­propanamide n-hexane 0.25-solvate hemihydrate

The asymmetric unit of the title compound, C(14)H(22)N(4)O(2)·0.25C(6)H(14)·0.5H(2)O, contains two independent mol­ecules of 2,4-bis­(pivaloyl­amino)­pyrimidine (M) with similar conformations, one water mol­ecule and one-half n-hexane solvent mol­ecule situated on an inversion center. In one indepen...

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Detalles Bibliográficos
Autores principales: Ośmiałowski, Borys, Valkonen, Arto, Chęcińska, Lilianna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884292/
https://www.ncbi.nlm.nih.gov/pubmed/24454068
http://dx.doi.org/10.1107/S160053681302713X
Descripción
Sumario:The asymmetric unit of the title compound, C(14)H(22)N(4)O(2)·0.25C(6)H(14)·0.5H(2)O, contains two independent mol­ecules of 2,4-bis­(pivaloyl­amino)­pyrimidine (M) with similar conformations, one water mol­ecule and one-half n-hexane solvent mol­ecule situated on an inversion center. In one independent M mol­ecule, one of the two tert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. The n-hexane solvent mol­ecule is disordered between two conformations in the same ratio. The water mol­ecule bridges two independent M mol­ecules via O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds into a 2M·H(2)O unit, and these units are further linked by N—H⋯N hydrogen bonds into chains running in the [010] direction. Weak C—H⋯O inter­actions are observed between the adjacent chains.