2-Phenoxy-4H-spiro { naphtho[2,3-e] [ 1,4,2]oxazaphosphinane-5,10-dione, 1′-cyclo- hexane}2-oxide （C22H20NO5P） was synthesized by the Mannich-type reaction of 2-amino-3- hydroxy-l,4-naphthoquinone with phenyl phosp...2-Phenoxy-4H-spiro { naphtho[2,3-e] [ 1,4,2]oxazaphosphinane-5,10-dione, 1′-cyclo- hexane}2-oxide （C22H20NO5P） was synthesized by the Mannich-type reaction of 2-amino-3- hydroxy-l,4-naphthoquinone with phenyl phosphorodichloridite and cyclohexanone, and structurally characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P2 1/n with a = 7.9133（11）, b = 13.0269（18）, c = 19.091（3） ,A,β = 101.906（2）°, V= 1925.6（5） ,A^3, Z= 4, Mr = 409.36, Dr = 1.412 g/cm^3, F（000） = 856,μ = 0.178 mm^-1, S = 1.015, the final R = 0.0381 and wR = 0.0906 for 2718 observed reflections with 1 〉 2σ（I） and 262 variable parameters. This compound may be used as DNA-intercalator. Its cytotoxic activities were also tested in vitro on four human tumor cell lines.展开更多
The title compound C21,H22,N3O2P2S3I, Mr=633. 44 crystallizes in themonoclinic, space group P21/a, with a= 8. 784 (3), b= 19. 900 (5), c = 16. 022 (4)A, β=98. 40(2)° V=2770. 6 A', Z=4, Dc= 1. 52 g/cm3, F(000...The title compound C21,H22,N3O2P2S3I, Mr=633. 44 crystallizes in themonoclinic, space group P21/a, with a= 8. 784 (3), b= 19. 900 (5), c = 16. 022 (4)A, β=98. 40(2)° V=2770. 6 A', Z=4, Dc= 1. 52 g/cm3, F(000)=1264, μ=125. 45 cm-l, R=0. 078, Rw=0. 067. In the molecule, each P atom is coordinated byO, N, S and C atoms with a distorted tetrahedral coordination configuration.展开更多
The crystal structure of the title compound, C32H28N2O4 was determined by X-ray diffraction method. Crystallographic data are as follows: Mr =504. 59, monoclinic, space group P21/c with cell dimensions of a = 11. 778 ...The crystal structure of the title compound, C32H28N2O4 was determined by X-ray diffraction method. Crystallographic data are as follows: Mr =504. 59, monoclinic, space group P21/c with cell dimensions of a = 11. 778 (3), b=8. 416(3), c=26. 310(6) A, β= 95. 74 (2)°, V= 2594. 72(2) A3, Z=4, Dc=1. 292g. cm-3, μ=0. 80cm-1, F(000) = 1064, R=0. 045, m= 0. 048 for 1124 reflections with I≥3(I). The molecule of the title compound has T style structure. Thelactone-benzene group is nearly perpendicular to the xanthene moiety. The C-O bondin the lactone ring is 1. 516(8) A, which is longer than that in the normal lactonering, and this indicates severe weakness of the bond.展开更多
文摘2-Phenoxy-4H-spiro { naphtho[2,3-e] [ 1,4,2]oxazaphosphinane-5,10-dione, 1′-cyclo- hexane}2-oxide （C22H20NO5P） was synthesized by the Mannich-type reaction of 2-amino-3- hydroxy-l,4-naphthoquinone with phenyl phosphorodichloridite and cyclohexanone, and structurally characterized by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P2 1/n with a = 7.9133（11）, b = 13.0269（18）, c = 19.091（3） ,A,β = 101.906（2）°, V= 1925.6（5） ,A^3, Z= 4, Mr = 409.36, Dr = 1.412 g/cm^3, F（000） = 856,μ = 0.178 mm^-1, S = 1.015, the final R = 0.0381 and wR = 0.0906 for 2718 observed reflections with 1 〉 2σ（I） and 262 variable parameters. This compound may be used as DNA-intercalator. Its cytotoxic activities were also tested in vitro on four human tumor cell lines.
文摘The title compound C21,H22,N3O2P2S3I, Mr=633. 44 crystallizes in themonoclinic, space group P21/a, with a= 8. 784 (3), b= 19. 900 (5), c = 16. 022 (4)A, β=98. 40(2)° V=2770. 6 A', Z=4, Dc= 1. 52 g/cm3, F(000)=1264, μ=125. 45 cm-l, R=0. 078, Rw=0. 067. In the molecule, each P atom is coordinated byO, N, S and C atoms with a distorted tetrahedral coordination configuration.
文摘The crystal structure of the title compound, C32H28N2O4 was determined by X-ray diffraction method. Crystallographic data are as follows: Mr =504. 59, monoclinic, space group P21/c with cell dimensions of a = 11. 778 (3), b=8. 416(3), c=26. 310(6) A, β= 95. 74 (2)°, V= 2594. 72(2) A3, Z=4, Dc=1. 292g. cm-3, μ=0. 80cm-1, F(000) = 1064, R=0. 045, m= 0. 048 for 1124 reflections with I≥3(I). The molecule of the title compound has T style structure. Thelactone-benzene group is nearly perpendicular to the xanthene moiety. The C-O bondin the lactone ring is 1. 516(8) A, which is longer than that in the normal lactonering, and this indicates severe weakness of the bond.
