The title compound tianagliflozin triacetate 1 was synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic system （C27H31C108, Mr = 518.97）, space ...The title compound tianagliflozin triacetate 1 was synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic system （C27H31C108, Mr = 518.97）, space group P21 with a = 5.3913（11）, b = 16.137（2）, c = 15.411（3） A, β = 94.15（3）°, V = 1337.3（5） A3, Z = 2, Dc = 1.289 g/cm3, F（000） = 548,μ = 0.190 mm1, the final R = 0.0374 and wR = 0.0809 for 3981 observed reflections （I 〉 2σ（I））. The structure of 1, triacetate of a highly potent SGLT2 inhibitor tianagliflozin, was unambiguously determined by single-crystal X-ray diffraction, which helped to confirm the desired fl configuration at the anomeric center and the position where the deoxylation occurred. The two benzene rings in the lattice are basically orthogonal to each other. There are four intermolecular hydrogen bonds in the crystal, which helps to further stabilize the crystal.展开更多
基金Natural Science Foundation of China(21302141)Key Projects of Tianjin Science and Technology Support Plan(10ZCKFSH01300)
文摘The title compound tianagliflozin triacetate 1 was synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic system （C27H31C108, Mr = 518.97）, space group P21 with a = 5.3913（11）, b = 16.137（2）, c = 15.411（3） A, β = 94.15（3）°, V = 1337.3（5） A3, Z = 2, Dc = 1.289 g/cm3, F（000） = 548,μ = 0.190 mm1, the final R = 0.0374 and wR = 0.0809 for 3981 observed reflections （I 〉 2σ（I））. The structure of 1, triacetate of a highly potent SGLT2 inhibitor tianagliflozin, was unambiguously determined by single-crystal X-ray diffraction, which helped to confirm the desired fl configuration at the anomeric center and the position where the deoxylation occurred. The two benzene rings in the lattice are basically orthogonal to each other. There are four intermolecular hydrogen bonds in the crystal, which helps to further stabilize the crystal.
