(Crystal structure of methyl 4-(4-hydroxyphenyl)-6- methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5- carboxylate monohydrate, 2016-08-19) Bairagi, Keshab M.; Venugopala, Katharigatta Narayanaswamy; Mondal, Pradip Kumar; Odhav, Bharti; Nayak, Susanta K.
The title hydrate, C13H14N2O4H2O, crystallizes with two formula units in the
asymmetric unit (Z0 = 2). The dihedral angles between the planes of the
tetrahydropyrimidine ring and the 4-hydroxyphenyl ring and ester group are
86.78 (4) and 6.81 (6), respectively, for one molecule and 89.35 (4) and 3.02 (4)
for the other. In the crystal, the organic molecules form a dimer, linked by a pair
of N—HO hydrogen bonds. The hydroxy groups of the organic molecules
donate O—HO hydrogen bonds to water molecules. Further, the hydroxy
group accepts N—HO hydrogen bonds from amides whereas the water
molecules donate O—HO hydrogen bonds to the both the amide and ester
carbonyl groups. Other weak interactions, including C—HO, C—H and
–, further consolidate the packing, generating a three-dimensional network.
