The title hydrate, C(13)H(14)N(2)O(4)·H(2)O, 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 86.78â (4) and 6.81â (6)°, respectively, for one mol-ecule and 89.35â (4) and 3.02â (4)° for the other. In the crystal, the organic mol-ecules form a dimer, linked by a pair of N-Hâ¯O hydrogen bonds. The hydroxy groups of the organic mol-ecules donate O-Hâ¯O hydrogen bonds to water mol-ecules. Further, the hy-droxy group accepts N-Hâ¯O hydrogen bonds from amides whereas the water mol-ecules donate O-Hâ¯O hydrogen bonds to the both the amide and ester carbonyl groups. Other weak inter-actions, including C-Hâ¯O, C-Hâ¯Ï and Ï-Ï, further consolidate the packing, generating a three-dimensional network.
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.
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作者:Bairagi Keshab M, Venugopala Katharigatta N, Mondal Pradip Kumar, Odhav Bharti, Nayak Susanta K
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2016 | 起止号: | 2016 Aug 26; 72(Pt 9):1335-1338 |
| doi: | 10.1107/S2056989016013359 | ||
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