Methyl 5-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrazine-2-carboxylate monohydrate

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

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 pai...

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Methyl 4-(3-eth­oxy-4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate

In the title compound, C(15)H(18)N(2)O(5)·H(2)O, the pyrimidine ring adopts a flattened-boat conformation. The eth-oxy group attached to the benzene ring is in an extended conformation. The oxopyrimidine mol-ecules are linked into centrosymmetric R(2) (2)(20) dimers by O-H⋯O hydrogen bonds. The dimers are linked by N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane...

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

There are three formula units in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)·H(2)O. Mol-ecules are linked by N-H⋯O hydrogen bonds into dimers with the common R(2) (2)(8) graph-set motif. Between dimers, single N-H⋯O hydrogen bonds are formed between the other N-H group of each pyrimidine ring and the hydroxyl groups. The water mol-ecules accept O-H⋯O hydrogen bonds from the hy...

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2-Isopropyl-6-methyl-4-oxo-3,4-dihydro­pyrimidin-1-ium 2-carb­oxy-4,6-dinitro­phenolate monohydrate

In the title mol-ecular salt, C(8)H(13)N(2)O(+)·C(7)H(3)N(2)O(7) (-)·H(2)O, the pyrimidinium cation is essentially planar, with a maximum deviation of 0.009 (1) Å. The cation undergoes an enol-keto tautomerism during the crystallization. In the crystal, the ion pairs and water mol-ecules are connected via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming two-dimensional networks parallel to the bc...

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Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate

The asymmetric unit of the title compound, C(14)H(14)F(4)N(2)O(4)·H(2)O, contains two crystallographically independent organic mol-ecules and two water mol-ecules. The two 1,3-diazinane rings adopt a half-chair conformation and the dihedral angles between their mean planes and those of the benzene rings are 75.65 (4)° and 49.41 (3)° in the two mol-ecules. The crystal structure is stabilized by ...

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ژورنال

عنوان ژورنال: IUCrData

سال: 2016

ISSN: 2414-3146

DOI: 10.1107/s2414314616017417