N-[2-(2,2-Dimethylpropanamido)pyrimidin-4-yl]-2,2-dimethylpropanamide n-hexane 0.25-solvate hemihydrate
| Autor: | Arto Valkonen, Lilianna Chęcińska, Borys Ośmiałowski |
|---|---|
| Přispěvatelé: | Faculty of Technology and Chemical Engineering, University of Technology and Life Sciences, Seminaryjna 3, PL-85-326 Bydgoszcz, Poland, Department of Chemistrycv5431, University of Jyväskylä, P.O. Box 35, FI-40014 Jyväskylä, Finland, Structural Chemistry and Crystallography Group, University of Lodz, Pomorska 163/165, PL-90-236 Łódź, Poland |
| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: |
Crystallography
Hydrogen bond Hemihydrate General Chemistry data-to-parameter ratio = 14.2 T = 123 K R factor = 0.079 Condensed Matter Physics Bioinformatics Propanamide Organic Papers Solvent Hexane chemistry.chemical_compound wR factor = 0.164 chemistry QD901-999 mean σ(C–C) = 0.006 Å single-crystal X-ray study General Materials Science ta116 disorder in main residue |
| Zdroj: | Acta Crystallographica Section E: Structure Reports Acta Crystallographica Section E, Vol 69, Iss 11, Pp o1617-o1618 (2013) |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|