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
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.