The crystal structure of the title compound （C7H14N2O7P2, Mr = 300.14） was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 8.258（3）, b = 8.886（3）, c = 9....The crystal structure of the title compound （C7H14N2O7P2, Mr = 300.14） was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 8.258（3）, b = 8.886（3）, c = 9.275（3） A, a = 96.669（3）, β = 115,706（3）, γ= 104.467（3）°, V= 573.8（3） A^3, Z = 2, Dc = 1.737 g/cm^3, 2（MoKa） = 0.71073, F（000） = 720,μ（MoKa） = 0.41 mm^-1 R = 0.030 and wR = 0.078. A total of 1970 unique reflections were collected, of which 1742 with I 〉 2σ（I） were observed. EIDHP has a structure similar to zoledronic acid （ZL）. ZL is a potent bone antiresorptive bisphosphonate drug having significant activity against several parasitic protozoa. EIHDP has inner-salt character, consisting of a negatively charged PO3 group and a positively charged N（1） atom. The crystal structure is stabilized by interrnolecular hydrogen bonds of O-H…O and N-H…O.展开更多
The crystal and molecular structures of 1-(N-dichlorophosphoryl-N-cyclohexyl) amino-1-dichlorophosphinyl-chloromethane have been determined by X-ray diffraction. The crystal (C7H12Cl5NO2P2) is of orthorhombic, space g...The crystal and molecular structures of 1-(N-dichlorophosphoryl-N-cyclohexyl) amino-1-dichlorophosphinyl-chloromethane have been determined by X-ray diffraction. The crystal (C7H12Cl5NO2P2) is of orthorhombic, space group Pbca with a = 11.104(7), b = 11.290(6), c = 24.403(14) , V = 3059(3) 3, Mr = 381.37, Z = 8, Dc = 1.656 g/cm3, ?= 1.146 mm-1, F(000) = 1536, the final R = 0.0391 and Rw = 0.0778 for 2657 observed reflections with I > 2s(I). The crystallographic results of the title compound show that the N atom is not a conventionally sp3 hybridized tetrahedron but an sp2 hybridized triangular planar nitrogen.展开更多
基金supported by the Science Foundation of the Health Department of Jiangsu Province (No. H200934)
文摘The crystal structure of the title compound （C7H14N2O7P2, Mr = 300.14） was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P1 with a = 8.258（3）, b = 8.886（3）, c = 9.275（3） A, a = 96.669（3）, β = 115,706（3）, γ= 104.467（3）°, V= 573.8（3） A^3, Z = 2, Dc = 1.737 g/cm^3, 2（MoKa） = 0.71073, F（000） = 720,μ（MoKa） = 0.41 mm^-1 R = 0.030 and wR = 0.078. A total of 1970 unique reflections were collected, of which 1742 with I 〉 2σ（I） were observed. EIDHP has a structure similar to zoledronic acid （ZL）. ZL is a potent bone antiresorptive bisphosphonate drug having significant activity against several parasitic protozoa. EIHDP has inner-salt character, consisting of a negatively charged PO3 group and a positively charged N（1） atom. The crystal structure is stabilized by interrnolecular hydrogen bonds of O-H…O and N-H…O.
基金This work was supported by the Innovations Fund of NanKai University
文摘The crystal and molecular structures of 1-(N-dichlorophosphoryl-N-cyclohexyl) amino-1-dichlorophosphinyl-chloromethane have been determined by X-ray diffraction. The crystal (C7H12Cl5NO2P2) is of orthorhombic, space group Pbca with a = 11.104(7), b = 11.290(6), c = 24.403(14) , V = 3059(3) 3, Mr = 381.37, Z = 8, Dc = 1.656 g/cm3, ?= 1.146 mm-1, F(000) = 1536, the final R = 0.0391 and Rw = 0.0778 for 2657 observed reflections with I > 2s(I). The crystallographic results of the title compound show that the N atom is not a conventionally sp3 hybridized tetrahedron but an sp2 hybridized triangular planar nitrogen.
