6533b85ffe1ef96bd12c1d4b
RESEARCH PRODUCT
N-[2-(2,2-Dimethylpropanamido)pyrimidin-4-yl]-2,2-dimethylpropanamide n-hexane 0.25-solvate hemihydrate
Arto ValkonenLilianna ChęcińskaBorys Ośmiałowskisubject
CrystallographyHydrogen bondHemihydrateGeneral Chemistrydata-to-parameter ratio = 14.2T = 123 KR factor = 0.079Condensed Matter PhysicsBioinformaticsPropanamideOrganic PapersSolventHexaneCrystallographychemistry.chemical_compoundwR factor = 0.164chemistryQD901-999mean σ(C–C) = 0.006 Åsingle-crystal X-ray studyGeneral Materials Scienceta116disorder in main residuedescription
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-halfn-hexane solvent molecule situated on an inversion center. In one independentMmolecule, one of the twotert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. Then-hexane solvent molecule is disordered between two conformations in the same ratio. The water molecule bridges two independentMmoleculesviaO—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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2013-01-01 |