Abstract
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 R 2 2(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 R 2 2(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 R 3 2(8) and R 3 2(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)°.
Highlights
Cyt+Or2H2O, 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 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 twodimensional network
The formation of the three-dimensional array is facilitated by water molecules, which act as bridges between structural sub-units linked in R23(8) and R23(7)
Summary
R factor = 0.046; wR factor = 0.125; data-to-parameter ratio = 10.2. Cyt+Or2H2O, was synthesized by a reaction between cytosine (4-amino-2-hydroxypyrimidine, Cyt) and orotic acid (2,4-dihydroxy-6-carboxypyrimidine, Or) in aqueous solution. Hydrogen bonds, forming a dimer with graph-set motif R22(8). 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 twodimensional network. The formation of the three-dimensional array is facilitated by water molecules, which act as bridges between structural sub-units linked in R23(8) and R23(7). 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)
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