Collect. Czech. Chem. Commun.
1990, 55, 2052-2058
https://doi.org/10.1135/cccc19902052
The structure of 1,2,4,4,6-pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Jiří Novotnýa, Antonín Kurfürstb and Bohumil Kratochvíla
a Department of Solid State Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
Abstract
The crystal and molecular structure of 1,2,4,4,6-pentamethyl-1,4-dihydropyridine-3,5-dicarbonitrile was solved by direct methods and anisotropically refined by the full-matrix least-squares method to a final R value 0.045 for 1 280 observed reflections (I > 3σ(I)). The compound crystallizes in the Pbca space group with lattice parameters of a = 12.021(1), b = 14.271(2), c = 13.465(1) Å, Z = 8. The six-membered 1,4-dihydropyridine ring of the title compound assumes the boat conformation, while the 1,4-dihydropyridine ring in the related compound, 1-ethyl-2,4,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile, has the envelope conformation. The difference in the fluorescence intensities of these substances can be explained on the basis of this conformational difference. No intermolecular hydrogen bonds were found in the structure, indicating that the crystal is held together by van der Waals interactions.
