Cytosinium orotate dihydrate
The title compound, C4H6N3O+·C5H3N2O4−·2H2O or Cyt+·Or−·2H2O, was synthesized by a reaction between cytosine (4-amino-2-hydroxypyrimidine, Cyt) and orotic acid (2,4-dihydroxy-6-carboxypyrimidine, Or) in aqueous solution. The two ions are joined...
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| Language: | English |
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International Union of Crystallography
2013-01-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812049057 |
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doaj-4c16bd851a854c20af1bb4c291bc47952020-11-25T02:43:27ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-01-01691o14o1510.1107/S1600536812049057Cytosinium orotate dihydrateGustavo PortaloneThe title compound, C4H6N3O+·C5H3N2O4−·2H2O or Cyt+·Or−·2H2O, was synthesized by a reaction between cytosine (4-amino-2-hydroxypyrimidine, Cyt) and orotic acid (2,4-dihydroxy-6-carboxypyrimidine, Or) in aqueous solution. The two ions are joined by two N+—H...O− (±)-(CAHB) hydrogen bonds, forming a dimer with graph-set motif R22(8). In the crystal, the ion pairs of the asymmetric unit are joined by four N—H...O interactions to adjacent dimers, forming hydrogen-bonded rings with R22(8) graph-set motif in a two-dimensional network. The formation of the three-dimensional array is facilitated by water molecules, which act as bridges between structural sub-units linked in R32(8) and R32(7) hydrogen-bonded rings. The orotate anion is essentially planar, as the dihedral angle between the planes defined by the carboxylate group and the uracil fragment is 4.0 (4)°.http://scripts.iucr.org/cgi-bin/paper?S1600536812049057 |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Gustavo Portalone |
| spellingShingle |
Gustavo Portalone Cytosinium orotate dihydrate Acta Crystallographica Section E |
| author_facet |
Gustavo Portalone |
| author_sort |
Gustavo Portalone |
| title |
Cytosinium orotate dihydrate |
| title_short |
Cytosinium orotate dihydrate |
| title_full |
Cytosinium orotate dihydrate |
| title_fullStr |
Cytosinium orotate dihydrate |
| title_full_unstemmed |
Cytosinium orotate dihydrate |
| title_sort |
cytosinium orotate dihydrate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2013-01-01 |
| description |
The title compound, C4H6N3O+·C5H3N2O4−·2H2O or Cyt+·Or−·2H2O, was synthesized by a reaction between cytosine (4-amino-2-hydroxypyrimidine, Cyt) and orotic acid (2,4-dihydroxy-6-carboxypyrimidine, Or) in aqueous solution. The two ions are joined by two N+—H...O− (±)-(CAHB) hydrogen bonds, forming a dimer with graph-set motif R22(8). In the crystal, the ion pairs of the asymmetric unit are joined by four N—H...O interactions to adjacent dimers, forming hydrogen-bonded rings with R22(8) graph-set motif in a two-dimensional network. The formation of the three-dimensional array is facilitated by water molecules, which act as bridges between structural sub-units linked in R32(8) and R32(7) hydrogen-bonded rings. The orotate anion is essentially planar, as the dihedral angle between the planes defined by the carboxylate group and the uracil fragment is 4.0 (4)°. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536812049057 |
| work_keys_str_mv |
AT gustavoportalone cytosiniumorotatedihydrate |
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1724769193519218688 |