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

0483357 - FZÚ 2018 RIV GB eng J - Článek v odborném periodiku
Matulková, I. - Fábry, Jan - Němec, I. - Císařová, I. - Vaněk, Přemysl
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+)_x hydrogen trioxofluorophosphate(1-)_x monohydrate/2,4,6-triaminopyrimidinium(2+)_1–xtrioxofluorophosphate(2–)_1–x monohydrate(0.0 < x < 0.73) with changing temperature.
Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials. Roč. 73, Jun (2017), s. 1114-1124. E-ISSN 2052-5206
Institucionální podpora: RVO:68378271
Klíčová slova: X-ray single-structure determination * hydrogen bonding * pi-pi-electron ring interactions * crystallographic databases * fluorine
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 6.467, rok: 2017

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 interesting feature is the presence of a moderate though still strong O—H...N/O...H—N hydrogen bond. Its bridging H atom was found to be disordered over two positions in the temperature interval 290–
220 K, with the larger occupation towards the O atom. The occupation in the latter position decreased with decreasing temperature, though not monotonously. At 210 K and below, the difference electron-density maps showed just
one maximum which was closer to the N atom.
Trvalý link: http://hdl.handle.net/11104/0278704