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- W3145423546 abstract "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." @default.
- W3145423546 created "2021-04-13" @default.
- W3145423546 creator A5063496433 @default.
- W3145423546 date "2008-01-01" @default.
- W3145423546 modified "2023-09-25" @default.
- W3145423546 title "Synthesis and THF Accompanied Crystal Structure of 11H-Naphtho[1',2':5,6]-pyrano[2,3-d]pyrimidin-11(10H)-one" @default.
- W3145423546 hasPublicationYear "2008" @default.
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