M. Tulyasheva, B. Rasulev, A. Tojiboev
Sep 1, 2005
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0
Influential Citations
2
Citations
Journal
Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
Abstract
The new compounds (Z)-ethyl 2-cyano-2-(3H- and 2-methyl-3H-quinazoline- 4-ylidene) acetate (1 and 2, respectively) were synthesized by multi-step reactions. The structures in a solution have been determined by 1H-NMR spectroscopy and in the crystal form by X-ray analysis. Molecule 1 crystallized in a primitive monoclinic cell, space group Р21/c. The cell dimensions are a=7.970(6) Å, b=7.061(2) Å, c=20.537(7) Å, β=97.69(5)°, V=1145.3(10) Å3. Molecule 2 crystallized in a triclinic cell, space group P1, the cell dimensions are a=8.196(5) Å, b=8.997(6) Å, c=9.435(4) Å, α=74.22(4)°, β=89.75(4)°, γ=74.07(5)°, V=641.9(6) Å3. In both compounds the presence of intramolecular NH---O=C hydrogen bonding between the nitrogen atom in position 3 of the quinazoline ring and a carbonyl group of the ethyl cyanoacetate residue was proven by quantum-chemical, 1H-NMR and X-ray methods.