Crystal structure of 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
نویسندگان
چکیده
منابع مشابه
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile.
The supramolecular structure of the title compound, C(18)H(17)ClN(2)O(2), is determined by the intersection of two chains formed by N-H...O and N-H...N hydrogen bonds, forming a two-dimensional sheet.
متن کاملCrystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate
The title compound, C20H27ClN2O3, was obtained via an original synthesis method. The central heterocyclic ring adopts a shallow envelope conformation, with the N atom bearing the cyclo-pentane ring as the flap [deviation from the other atoms = 0.442 (2) Å]. The cyclo-pentane ring adopts a twisted conformation about one of the CN-C bonds: the exocyclic C-N bond adopts an equatorial orientation. ...
متن کاملSynthesis, IR spectra, crystal structure and DFT studies on 1-acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline.
1-Acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional (DFT) calculations have been carried out for the title compound by using the B3LYP method at the 6-311G** basis set level. The calculated results show that the predicted geometry can reproduce well the structural pa...
متن کاملCrystal structure of 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
In the title compound, C23H20ClN3O, each of the cyclo-hexene and 1,4-di-hydro-pyridine rings of the 1,4,5,6,7,8-hexa-hydro-quinoline ring system adopts a twisted-boat conformation. The dihedral angle between the two benzene rings is 11.52 (7)°. In the crystal, mol-ecules are linked through a pair of amino-nitrile N-H⋯N hydrogen bonds, forming inversion dimers. These assemble into a three-dimens...
متن کامل2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The 4H-pyran ring of the title compound, C(17)H(16)N(2)O(2), is nearly planar [maximum deviation = 0.077 (2) Å] and the cyclo-hexene ring adopts a flattened chair conformation [puckering parameters: Q(T) = 0.435 (2) Å, θ = 122.0 (3)° and ϕ = 53.5 (3)°]. The 4H-pyran ring is almost perpendicular to the benzene ring [dihedral angle = 87.23 (8)°] and is almost coplanar with the mean plane of the c...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Crystallographic Communications
سال: 2015
ISSN: 2056-9890
DOI: 10.1107/s2056989015021313