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Bis(2,4,6-triaminopyrimidin-1-ium) sulfate pentahydrate
The asymmetric unit of the title salt, 2C(4)H(8)N(5) (+)·SO(4) (2−)·5H(2)O, contains four 2,4,6-triaminopyrimidinium (TAPH(+)) cations, two sulfate anions and ten lattice water molecules. Each two of the four TAPH(+) cations form dimers via N—H⋯N hydrogen bonds between the amino groups and the un...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793762/ https://www.ncbi.nlm.nih.gov/pubmed/24109349 http://dx.doi.org/10.1107/S1600536813019223 |
Sumario: | The asymmetric unit of the title salt, 2C(4)H(8)N(5) (+)·SO(4) (2−)·5H(2)O, contains four 2,4,6-triaminopyrimidinium (TAPH(+)) cations, two sulfate anions and ten lattice water molecules. Each two of the four TAPH(+) cations form dimers via N—H⋯N hydrogen bonds between the amino groups and the unprotonated pyrimidine N atoms [graph-set motif R (2) (2)(8)]. The (TAPH(+))(2) dimers, in turn, form slightly offset infinite π–π stacks parallel to [010], with centroid–centroid distances between pyrimidine rings of 3.5128 (15) and 3.6288 (16) Å. Other amino H atoms, as well as the pyrimidinium N—H groups, are hydrogen-bonded to sulfate and lattice water O atoms. The SO(4) (2−) anions and water molecules are interconnected with each other via O—H⋯O hydrogen bonds. The combination of hydrogen-bonding interactions and π–π stacking leads to the formation of a three-dimensional network with alternating columns of TAPH(+) cations and channels filled with sulfate anions and water molecules. One of the sulfate anions shows a minor disorder by a ca 37° rotation around one of the S—O bonds [occupancy ratio of the two sets of sites 0.927 (3):0.073 (3)]. One water molecule is disordered over two mutually exclusive positions with an occupancy ratio of 0.64 (7):0.36 (7). |
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