Crystal structure of methyl 4-(4-hy­droxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate

نویسندگان

  • Keshab M. Bairagi
  • Katharigatta N. Venugopala
  • Pradip Kumar Mondal
  • Bharti Odhav
  • Susanta K. Nayak
چکیده

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⋯π and π-π, further consolidate the packing, generating a three-dimensional network.

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عنوان ژورنال:

دوره 72  شماره 

صفحات  -

تاریخ انتشار 2016