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Crystals of 4, 6-dimethyl-2-hydroxypyrimidine dihydrate, C6H8ON2.2H2O, are monoclinic with a = 6.80 A., b = 13.45 A., c = 9.18 A., ![[beta]](/logos/entities/beta_rmgif.gif)
= 101°. The cell contains four molecules. The space group is P21/n, but is strongly pseudo-A2/a. Coordinates for the atoms are derived and refined by two-dimensional Fourier syntheses and the method of steepest descents. The pyrimidine molecule is found to be planar within the limits of present accuracy and the bond lengths are C-C: 1.52, 1.56 A.; C![[pdbond]](/logos/entities/z-pdbond_rmgif.gif)
N: 1.34, 1.35, 1.38, 1.39 A.; COH: 1.25 A.; CCH: 1.37, 1.39 A.; (all ± 0.04 A.). Two water molecules form hydrogen bridges to the hydroxyl group, and each water is also linked to a nitrogen atom in the next molecule and to another water molecule; all hydrogen bridges are of moderate strength, the lengths lying between 2.7 and 3.0 A.
= 101°. The cell contains four molecules. The space group is P21/n, but is strongly pseudo-A2/a. Coordinates for the atoms are derived and refined by two-dimensional Fourier syntheses and the method of steepest descents. The pyrimidine molecule is found to be planar within the limits of present accuracy and the bond lengths are C-C: 1.52, 1.56 A.; CN: 1.34, 1.35, 1.38, 1.39 A.; COH: 1.25 A.; CCH: 1.37, 1.39 A.; (all ± 0.04 A.). Two water molecules form hydrogen bridges to the hydroxyl group, and each water is also linked to a nitrogen atom in the next molecule and to another water molecule; all hydrogen bridges are of moderate strength, the lengths lying between 2.7 and 3.0 A.
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