Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 11 (November 2013)

organic compounds

Acta Cryst. (2013). E69, o1617-o1618    [ doi:10.1107/S160053681302713X ]

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

B. Osmialowski, A. Valkonen and L. Checinska

Abstract: The asymmetric unit of the title compound, C14H22N4O2·0.25C6H14·0.5H2O, 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·H2O 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.

CCDC reference: 964448

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