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⋯π and π-π, further consolidate the packing, generating a three-dimensional network.
Highlights
The title hydrate, C13H14N2O4H2O, crystallizes with two formula units in the asymmetric unit (Z0 = 2)
We have been working on the synthesis of various DHPM derivatives for better biological activities (Narayanaswamy et al, 2013; Nayak et al, 2011) and a wide range of applications (Nayak et al, 2009, 2010)
Cg1 and Cg2 are the centroids of the C8–C13 and C21–C26 rings, respectively
Summary
Dihydropyrimidine (DHPM) derivatives are used in the treatment of disease as antiviral, antitumor, antibacterial and antimalarial agents, as first reported by the Italian chemist. Pietro Biginelli in 1893 [Kappe (2000), Nayak et al (2010) and references therein]. We have been working on the synthesis of various DHPM derivatives for better biological activities (Narayanaswamy et al, 2013; Nayak et al, 2011) and a wide range of applications (Nayak et al, 2009, 2010). We report the synthesis and single-crystal structure of the title compound, (I). Cg1 and Cg2 are the centroids of the C8–C13 and C21–C26 rings, respectively. The asymmetric unit of the title compound with 50% probability ellipsoids. Containing molecule and 89.35 (4) and 3.02 (4) , respectively, for the other
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