Abstract
The title compound, C15H12N4O4·2H2O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N–H⋯O, O—H⋯N and O—H⋯O hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—H⋯π and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur.
Highlights
The title compound, C15H12N4O42H2O, crystallizes with two independent water molecules in the asymmetric unit
The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are
The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1), respectively.In the crystal, N–H O, O—H N and O—H O
Summary
R factor = 0.041; wR factor = 0.115; data-to-parameter ratio = 12.2. The title compound, C15H12N4O42H2O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are. 85.1 (9) and 82.1 (1) , respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8) from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1) , respectively.In the crystal, N–H O, O—H N and O—H O hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010).
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