Crystal Structure of 3,5-Dicyano-2,6-dimethyl-4-(3-chlorophenyl)-1,4-dihydropyridine
نویسندگان
چکیده
منابع مشابه
Crystal 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. ...
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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...
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The title compound (systematic name: 2,6-dimethyl-1H-pyridin-4-one hemihydrate), C7H9NO·0.5H2O, has a single planar mol-ecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.021 Å. There is also half of a water mol-ecule present in the asymmetric unit. In the crystal, infinite (001) sheets are formed by N-H⋯O and O-H⋯O hydrogen bonds.
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ژورنال
عنوان ژورنال: Analytical Sciences: X-ray Structure Analysis Online
سال: 2004
ISSN: 1348-2238
DOI: 10.2116/analscix.20.x13