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

Autor: Keshab M. Bairagi, Katharigatta N. Venugopala, Pradip Kumar Mondal, Bharti Odhav, Susanta K. Nayak
Jazyk: angličtina
Rok vydání: 2016
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 9, Pp 1335-1338 (2016)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989016013359
Popis: The title hydrate, C13H14N2O4·H2O, crystallizes with two formula units in the asymmetric unit (Z′ = 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—H...O hydrogen bonds. The hydroxy groups of the organic molecules donate O—H...O hydrogen bonds to water molecules. Further, the hydroxy group accepts N—H...O hydrogen bonds from amides whereas the water molecules donate O—H...O hydrogen bonds to the both the amide and ester carbonyl groups. Other weak interactions, including C—H...O, C—H...π and π–π, further consolidate the packing, generating a three-dimensional network.
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