Crystal structure of methyl 4-(4-hy-droxy-phen-yl)-6-methyl-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate monohydrate.

ABSTRACT: The title hydrate, C₁₃H₁₄N₂O₄·H₂O, crystallizes with two formula units in the asymmetric unit (Z' = 2). The dihedral angles between the planes of the tetra-hydro-pyrimidine ring and the 4-hy-droxy-phenyl ring and ester group are 86.78?(4) and 6.81?(6)°, respectively, for one mol-ecule and 89.35?(4) and 3.02?(4)° for the other. In the crystal, the organic mol-ecules form a dimer, linked by a pair of N-H?O hydrogen bonds. The hydroxy groups of the organic mol-ecules donate O-H?O hydrogen bonds to water mol-ecules. Further, the hy-droxy group accepts N-H?O hydrogen bonds from amides whereas the water mol-ecules donate O-H?O hydrogen bonds to the both the amide and ester carbonyl groups. Other weak inter-actions, including C-H?O, C-H?? and ?-?, further consolidate the packing, generating a three-dimensional network.

SUBMITTER: Bairagi KM 

PROVIDER: S-EPMC5120719 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature