N-[2-(2,2-Di-methyl-propanamido)-pyrimidin-4-yl]-2,2-di-methyl-propanamide n-hexane 0.25-solvate hemihydrate

Borys Ośmiałowski; Arto Valkonen; Lilianna Chęcińska

doi:10.1107/S160053681302713X

N-[2-(2,2-Di-methyl-propanamido)-pyrimidin-4-yl]-2,2-di-methyl-propanamide n-hexane 0.25-solvate hemihydrate

Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 5;69(Pt 11):o1617-8. doi: 10.1107/S160053681302713X.

Authors

Borys Ośmiałowski¹, Arto Valkonen², Lilianna Chęcińska³

Affiliations

¹ Faculty of Technology and Chemical Engineering, University of Technology and Life Sciences, Seminaryjna 3, PL-85-326 Bydgoszcz, Poland.
² Department of Chemistrycv5431, University of Jyväskylä, P.O. Box 35, FI-40014 Jyväskylä, Finland.
³ Structural Chemistry and Crystallography Group, University of Lodz, Pomorska 163/165, PL-90-236 Łódź, Poland.

Abstract

The asymmetric unit of the title compound, C14H22N4O2·0.25C6H14·0.5H2O, contains two independent mol-ecules of 2,4-bis-(pivaloyl-amino)-pyrimidine (M) with similar conformations, one water mol-ecule and one-half n-hexane solvent mol-ecule situated on an inversion center. In one independent M mol-ecule, one of the two tert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. The n-hexane solvent mol-ecule is disordered between two conformations in the same ratio. The water mol-ecule bridges two independent M mol-ecules 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 inter-actions are observed between the adjacent chains.