Absolute Configuration of the Levocloperastine Fendizoate

【摘要】 Crystal structure of the levocloperastine fendizoate (C80H76Cl2N2O10, C20H25ClNO+· C20H13O4-) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic system, space group P1 with a = 10.1059(18), b = 11.957(2), c = 15.383(3) , α = 104.666(2), β = 90.9700(10), γ = 110.744(2)°, Z = 1, V = 1670.0(5) 3, Dc = 1.289 g/cm3, F(000) = 684, μ(MoKα) = 0.161 mm-1, Mr = 1296.33, the final R = 0.0343 and wR = 0.0676. The cations and anions are linked by the COO…NH hydrogen bonds of 2.709(3) and 2.690(3)  and COO…OH hydrogen bonds of 2.632(3) and 2.631(3) . The configuration of the only one chiral carbon atom in this compound is R(rectus).更多还原

【Abstract】 Crystal structure of the levocloperastine fendizoate (C80H76Cl2N2O10, C20H25ClNO+· C20H13O4-) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic system, space group P1 with a = 10.1059(18), b = 11.957(2), c = 15.383(3) , α = 104.666(2), β = 90.9700(10), γ = 110.744(2)°, Z = 1, V = 1670.0(5) 3, Dc = 1.289 g/cm3, F(000) = 684, μ(MoKα) = 0.161 mm-1, Mr = 1296.33, the final R = 0.0343 and wR = 0.0676. The cations and anions are linked by the COO…NH hydrogen bonds of 2.709(3) and 2.690(3)  and COO…OH hydrogen bonds of 2.632(3) and 2.631(3) . The configuration of the only one chiral carbon atom in this compound is R(rectus).更多还原