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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...

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Autores principales: Nimthong, Ruthairat, Chamchong, Siva, Pakawatchai, Chaveng, Mokhagul, Jedsada, Wattanakanjana, Yupa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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
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author Nimthong, Ruthairat
Chamchong, Siva
Pakawatchai, Chaveng
Mokhagul, Jedsada
Wattanakanjana, Yupa
author_facet Nimthong, Ruthairat
Chamchong, Siva
Pakawatchai, Chaveng
Mokhagul, Jedsada
Wattanakanjana, Yupa
author_sort Nimthong, Ruthairat
collection PubMed
description 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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spelling pubmed-37937622013-10-09 Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate Nimthong, Ruthairat Chamchong, Siva Pakawatchai, Chaveng Mokhagul, Jedsada Wattanakanjana, Yupa Acta Crystallogr Sect E Struct Rep Online Organic Papers 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). International Union of Crystallography 2013-07-17 /pmc/articles/PMC3793762/ /pubmed/24109349 http://dx.doi.org/10.1107/S1600536813019223 Text en © Nimthong et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Nimthong, Ruthairat
Chamchong, Siva
Pakawatchai, Chaveng
Mokhagul, Jedsada
Wattanakanjana, Yupa
Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
title Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
title_full Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
title_fullStr Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
title_full_unstemmed Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
title_short Bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
title_sort bis(2,4,6-tri­amino­pyrimidin-1-ium) sulfate penta­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793762/
https://www.ncbi.nlm.nih.gov/pubmed/24109349
http://dx.doi.org/10.1107/S1600536813019223
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AT mokhaguljedsada bis246triaminopyrimidin1iumsulfatepentahydrate
AT wattanakanjanayupa bis246triaminopyrimidin1iumsulfatepentahydrate