Migrating hydrogen in 2,4,6-tri­amino­pyrimidin­ium(1+)x hydrogen trioxo­fluoro­phosphate(−)x monohydrate/2,4,6-tri­amino­pyrimidinium(2+)1–x trioxo­fluoro­phosphate(2–)1–x monohydrate (0.0 < x < 0.73) with changing temperature

ABSTRACT: Structure determinations of the title compounds at different temperatures revealed the presence of a moderate, though still strong, O—H⋯N/O⋯H—N hydrogen bond in which the electron density distribution of its bridging hydrogen is temperature dependent. The structural properties of the anions [PO3F]2− and [HPO3F]−, namely the interdependence of the longest P—F and P—O bond lengths, which reflects the bonding of the latter anion, are also discussed. The data of the title structure of 2,4,6-tri­amino­pyrimidinium(1+)x hydrogen trioxo­fluoro­phosphate(1−)x monohydrate/2,4,6-tri­amino­pyrimidinium(2+)1−x tri­oxo­fluoro­phosphate(2−)1−x monohydrate (0.0 < x < 0.73), with the sum formula C4H11FN5O4P, were collected in 10 K inter­vals between 290 and 150 K, as well as at 100 K. The most inter­estin

SUBMITTER: Matulkova I 

PROVIDER: S-EPMC5744413 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature