6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
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چکیده
In the title compound, C21H23N3O7, the pyrimidine-dione ring adopts a screw-boat conformation, whereas the cyclo-hexenone ring adopts an envelope conformation, with the C atom bearing the methyl groups as the flap atom. The dihedral angle between the mean planes of the pyrimidine-dione and cyclo-hexenone rings is 58.78 (2)°. The pyrimidine-dione and cyclo-hexenone rings form dihedral angles of 59.94 (3) and 54.73 (2)°, respectively, with the 4-nitro-phenyl ring. Relatively strong intra-molecular O-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a chain along the c-axis direction.
منابع مشابه
3-Hydroxy-2-[(4-hydroxy-3,5-dimethoxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohex-2-en-1-one
In the title compound, C(25)H(32)O(7), the 3-hy-droxy-5,5-dimethyl-cyclo-hex-2-enone rings adopt slightly distorted envelope conformations with the two planes at the base of the envelope forming dihedral angles of 57.6 (4) and 53.9 (9)° with the benzene ring. There is an intra-molecular hy-droxy-ketone O-H⋯O inter-action between the two substituted cyclo-hexane rings as well as a short intra-mo...
متن کامل5-[(3-Fluorophenyl)(2-hydroxy-6-oxocyclohex-1-en-1- yl)methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H, 3H)-dione
5-[(3-Fluorophenyl)(2-hydroxy-6-oxocyclohex-1-en-1-yl)-methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 3 was synthesized via a multicomponent reaction. The Aldol–Michael addition reactions of N,N-dimethylbarbituric acid, cyclohexane-1,3-dione, and 3-fluorobenzaldehyde in aqueous solution gave the product in high yield. The molecular structure of the compound was confirmed by spectrosc...
متن کامل3-Hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(3-nitrophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one
Each of the cyclohexenone rings in the title compound, C(23)H(27)NO(6), adopts a half-chair (envelope) conformation with the C atom carrying the methyl groups lying out of the plane defined by the five remaining C atoms; the O atoms lie to the same side of the mol-ecule as the respective >C(CH(3))(2) atoms. The hy-droxy and carbonyl O atoms face each other and are orientated to allow for the fo...
متن کاملCrystal structure of 5,5′-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione]
In the title mol-ecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (001) and in ...
متن کامل5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1,3-dimethyl-1H-chromeno[2,3-d]pyrimidine-2,4(3H,5H)-dione 3.5-hydrate
The title compound, C19H19N5O5·3.5H2O, crystallizes with 3.5 mol-ecules of water in the asymmetric unit, one of which lies on a mirror plane. One of the water mol-ecules links the mol-ecules, forming centrosymmetric dimers. These dimers are then linked through further N-H⋯O and O-H⋯O hydrogen bonding, leading to the observed three-dimensional structure.
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