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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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. |
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