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8,9,12-Trihydro-9,9-pentamethylene-12-(3-nitrophenyl)-11H-naphtho[1’,25,6]-pyrano[2,3-d]pyrimidin-11(10H)-one 1,another conversion product of Friedlndler reaction,has been synthesized by the reaction of 2-amino-4-(3-nitrophenyl)-4H-benzo[f]chromene-3-carbo-nitrile 2 with cyclohexanone in the presence of Lewis acid catalysts.The crystal of the title compound 1 THF solvate,C60H62N6O10,was obtained and determined by X-ray diffraction me-thod.The crystal is of triclinic,space group P with a = 11.4633(11),b = 12.6247(12),c = 19.658(2) ,α = 72.642(8),β = 89.045(9),γ = 68.340(5)°,V = 2509.6(4),Z = 2,Dc = 1.359 g/cm3,F(000) = 1088,Mr = 1027.16,the final R = 0.0674 and wR = 0.1869 with Ⅰ > 2σ(Ⅰ) and the goodness-of-fit S = 1.045 on F2.The pyrimidine ring has an envelope conformation,linked with a six-membered ring through a spiro C atom.The crystal packing of 1 THF solvate is stabilized by N-H···O hydrogen bonds,and π-π stacking interaction occurs between two adjacent nearly planar molecules of 1.
2,3-d] pyrimidin-11 (10H) -one 1, another conversion product of Friedländler reaction, has been synthesized by the reaction of 2-amino-4- (3-nitrophenyl) -4H-benzo [f] chromene-3-carbo-nitrile 2 with cyclohexanone in the presence of Lewis acid catalysts. The crystal of the title compound 1 THF solvate, C60H62N6O10, was obtained and determined by X-ray diffraction me-thod. The crystal is of triclinic, space group P with a = 11.4633 (11), b = 12.6247 Α = 72.642 (8), β = 89.045 (9), γ = 68.340 (5) °, V = 2509.6 (4), Z = 2 and Dc = 1.359 g / cm3, F (000) = 1088, Mr = 1027.16, the final R = 0.0674 and wR = 0.1869 with I> 2σ (I) and the goodness- of-fit S = 1.045 on F2. The pyrimidine ring has an envelope conformation, linked with a six-membered ring through a spiro C atom. The crystal packing of 1 THF solvate is stabilized by NH ··· O hydrogen bonds, and π-π stacking interaction occurs between two adjacent nea rly planar molecules of 1.