Microwave Assisted Synthesis and Crystal Structure of 3,3,6,6-Tetramethyl-9-(phenyl)-1,8-dioxo-2,3,4,5,6,7-hexahydroxanthene

Abstract

AbstractThe title compound (C 23 H 26 O 3 , M r = 350.44) has been synthesized under microwave irradiation. Its structure was characterized by IR, 1 H NMR spectroscopy and single-crystal X-ray diffraction. The title crystal is in the monoclinic system, space group C with cell dimensions of a = 6.0500(12) A, b = 19.693(4) A, c = 16.386(3) A, β = 97.85(3)°, V = 1,934.0(7) A 3 , Z = 4, D c = 1.204 g/cm 3 , λ = 0.71073 A, μ = 0.08 mm −1 , F (000) = 752, the final R = 0.065 and wR = 0.165 for 1,992 observed reflections with I > 2σ(I). In the molecular structure, the pyran ring is of boat conformation, and the two-six-membered rings fused with it adopt envelope conformations.Index AbstractThe title compound (C 23 H 26 O 3 , M r = 350.44) has been synthesized under microwave irradiation. Its structure was characterized by IR, 1 H NMR spectroscopy and single-crystal X-ray diffraction. The title crystal is in the monoclinic system, space group P2 1 /C with cell dimensions of a = 6.0500(12) A, b = 19.693(4) A, c = 16.386(3) A, β = 97.85(3)°, V = 1934.0(7) A 3 , Z = 4, D c = 1.204 g/cm 3 , λ = 0.71073 A, μ = 0.08 mm -1 , F (000) = 752, the final R = 0.065 and wR = 0.165 for 1,992 observed reflections with I > 2σ(I). In the molecular structure, the pyran ring is of boat conformation, and the two six-membered rings fused with it adopt envelope conformations.[IMAGE]