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International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 11(69), p. o1617-o1618, 2013

DOI: 10.1107/s160053681302713x

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

Journal article published in 2013 by Borys Ośmiałowski, Arto Valkonen ORCID, Lilianna Chęcińska
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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-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.