A series of bis{oxo bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]} complexes {[(PhCH 2) 2Sn· (O 2CR)] 2O} 2[where R=2 furyl, 2 (2 furyl)vinyl, 2 (5 tert butyl)furyl, 2 thiophenyl, 2 pyridiny...A series of bis{oxo bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]} complexes {[(PhCH 2) 2Sn· (O 2CR)] 2O} 2[where R=2 furyl, 2 (2 furyl)vinyl, 2 (5 tert butyl)furyl, 2 thiophenyl, 2 pyridinyl, 3 pyridinyl , 4 pyridinyl, 3 indolyl, 3 indolylmethyl, 3 indolylpropyl] was synthesized by the reactions of heteroaromatic carboxylic acids with dibenzyltin(Ⅳ) oxide. All the complexes were characterized by elemental analysis, IR, and NMR spectra. The complexes were tested against two human tumour cell lines: MCF 7 and WiDr. The results show that they have higher activities in vitro . The crystal structure of bis{oxo bis[2 furylcarboxylatodibenzyltin(Ⅳ)]}(1) was determined by X ray diffraction. The crystal belongs to monoclinic space group P2 1/n, a =1 6641(2) nm, b =1 25073(18) nm, c =1 7193(3) nm, β= 101 951(2)° , Z=2, R 1=0 0446, wR 2=0 1100. Complex 1 is of a centrosymmetric dimer structure with a four membered central endo cyclic Sn 2O 2 unit in which the bridged oxygen atoms are tri coordinated. Each bridged oxygen atom also connects with an exo cyclic tin atom. The tin atoms are six coordinated and have a coordination geometry of a distorted octahedron. The exo cyclic tin atoms are five coordinated and have a coordination geometry of a monocapped trigonal bipyramid with a very similarly distorted mode. Four carboxylate ligands are divided into two types. The two of the four carboxylate ligands are bidentate and bridged to each pair of exo and endo cyclic tin atoms by using both the oxygen atoms. The other two are monodentate and bridged to each pair of exo and endo cyclic tin atoms but each utilizes one O atom only.展开更多
A novel organotin hydration dibenzyltin dichloride has been synthesized and its crystal structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group Pc with a = 1.1918（5）, b = 0.6199...A novel organotin hydration dibenzyltin dichloride has been synthesized and its crystal structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group Pc with a = 1.1918（5）, b = 0.6199（2）, c = 1.1074（5）nm, β = 106.899（7）°, V= 0.7828（8）nm3, Z = 2, Dc = 1.654 g/cm3,μ（MoKa） = 19.59 cm^-1, F（000） = 384, R = 0.0564 and RwR = 0.1427. The Sn-C bonds are 0.2140（9） and 0.2152（5） nm, Sn-Cl are 0.2385（4） and 0.2497（3） nm, and Sn-O is 0.2388（7） nm. The tin atom is five-coordinated in a distorted trigonal bipyramidal configuration. The study on the title complex has been performed with quantum chemistry calculation by means of G98W package on the Lanl2dz basis set. The stability of the complex as well as the orbital energies and composition characteristics of some frontier molecular orbitals has been investigated.展开更多
Two dibenzyltin(IV) complexes with thiobenzoate ligand, (PhCH2)2Sn(SOCPh)2 (1) and (PhCH2)2Sn(Cl)SOCPh (2), have been synthesized by the reaction of dibenzyltin(IV) dichloride with thiobenzoic acid in the presence of ...Two dibenzyltin(IV) complexes with thiobenzoate ligand, (PhCH2)2Sn(SOCPh)2 (1) and (PhCH2)2Sn(Cl)SOCPh (2), have been synthesized by the reaction of dibenzyltin(IV) dichloride with thiobenzoic acid in the presence of organic base Et3N and characterized by IR, 1H NMR spectroscopy and elemental analysis. Their crystal structures were determined by X-ray single crystal diffraction analysis. In the crystals of 1, the tin atom is six-coordinated in a distorted octahedron configuration. In the crystals of 2, the molecular packing in unit cell reveals that the two adja-cent molecules are symmetrically linked to each other to form a dimer with intermolecular Sn…Cl distances of 0.3591(2) nm and the tin atom is five-coordinated in a distorted trigonal bipyramid configuration.展开更多
Dibenzyltin bis(dithiomorpholinocarbamate) was synthesized by the reaction of dibenzyltin dichloride with dithiomorpholinocarbamate. The compound was characterized by elemental analysis, IR, 1H NMR and MS. and the cry...Dibenzyltin bis(dithiomorpholinocarbamate) was synthesized by the reaction of dibenzyltin dichloride with dithiomorpholinocarbamate. The compound was characterized by elemental analysis, IR, 1H NMR and MS. and the crystal structure was determined by X ray single crystal diffraction. The crystal belongs to orthorhombic with space group Pca21, a=1.8327(3)nm, b= 0.65678(12)nm, c=2.2583(4)nm, Z=4, V=2.718 (9)nm3, Dx=1.528g·cm-3,μ=1.271mm-1, F(000)=1272, R1=0.0434, wR2=0.1152. In the crystals, the structures consist of discrete molecules containing six coordinate tin atoms in a distorted octahedron configuration.展开更多
Dibenzyltin bis(dithiotetrahydropyrrolocarbamate) was synthesized by the rea ction of dibenzyltin dichloride with dithiotetrahydropyrrolocarbamate. The compo und was characterized by elemental analysis, IR, 1H NMR and...Dibenzyltin bis(dithiotetrahydropyrrolocarbamate) was synthesized by the rea ction of dibenzyltin dichloride with dithiotetrahydropyrrolocarbamate. The compo und was characterized by elemental analysis, IR, 1H NMR and MS. and the crystal structure was determined by X-ray single crystal diffraction. The crystal bel ongs to orthorhombic with space group Pccn, a=2.1665(6)nm, b=0.9932(3)nm, c=1.19 79(3)nm,á=90a=90?=90穋m-3,ì (MoKá)=1.330mm-1,F(000)=1208,R1=0.0341, wR2=0.0627. In the crystals, the str uctures consist of discrete molecules in which the tin atom is six-coordinate in a distorted octahedron configuration. CCDC: 179919.展开更多
基金Supported by the National Natural Science Foundation of China(No.2 0 2 710 2 5 ) and the Natural Science Foundation ofShandong Province(No.Z2 0 0 1B0 2
文摘A series of bis{oxo bis[heteroaromatic carboxylatodibenzyltin(Ⅳ)]} complexes {[(PhCH 2) 2Sn· (O 2CR)] 2O} 2[where R=2 furyl, 2 (2 furyl)vinyl, 2 (5 tert butyl)furyl, 2 thiophenyl, 2 pyridinyl, 3 pyridinyl , 4 pyridinyl, 3 indolyl, 3 indolylmethyl, 3 indolylpropyl] was synthesized by the reactions of heteroaromatic carboxylic acids with dibenzyltin(Ⅳ) oxide. All the complexes were characterized by elemental analysis, IR, and NMR spectra. The complexes were tested against two human tumour cell lines: MCF 7 and WiDr. The results show that they have higher activities in vitro . The crystal structure of bis{oxo bis[2 furylcarboxylatodibenzyltin(Ⅳ)]}(1) was determined by X ray diffraction. The crystal belongs to monoclinic space group P2 1/n, a =1 6641(2) nm, b =1 25073(18) nm, c =1 7193(3) nm, β= 101 951(2)° , Z=2, R 1=0 0446, wR 2=0 1100. Complex 1 is of a centrosymmetric dimer structure with a four membered central endo cyclic Sn 2O 2 unit in which the bridged oxygen atoms are tri coordinated. Each bridged oxygen atom also connects with an exo cyclic tin atom. The tin atoms are six coordinated and have a coordination geometry of a distorted octahedron. The exo cyclic tin atoms are five coordinated and have a coordination geometry of a monocapped trigonal bipyramid with a very similarly distorted mode. Four carboxylate ligands are divided into two types. The two of the four carboxylate ligands are bidentate and bridged to each pair of exo and endo cyclic tin atoms by using both the oxygen atoms. The other two are monodentate and bridged to each pair of exo and endo cyclic tin atoms but each utilizes one O atom only.
基金supported by the Key Fund of Education Committee of Hunan Province (06009)Natural Science Fundation of Hunan Province (05JJ40015, 06JJ50022)+1 种基金Science and Technology Fund of Hunan Province (2007FJ4140)Key Subject Fund and Key Lab Fund of Hunan Province
文摘A novel organotin hydration dibenzyltin dichloride has been synthesized and its crystal structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group Pc with a = 1.1918（5）, b = 0.6199（2）, c = 1.1074（5）nm, β = 106.899（7）°, V= 0.7828（8）nm3, Z = 2, Dc = 1.654 g/cm3,μ（MoKa） = 19.59 cm^-1, F（000） = 384, R = 0.0564 and RwR = 0.1427. The Sn-C bonds are 0.2140（9） and 0.2152（5） nm, Sn-Cl are 0.2385（4） and 0.2497（3） nm, and Sn-O is 0.2388（7） nm. The tin atom is five-coordinated in a distorted trigonal bipyramidal configuration. The study on the title complex has been performed with quantum chemistry calculation by means of G98W package on the Lanl2dz basis set. The stability of the complex as well as the orbital energies and composition characteristics of some frontier molecular orbitals has been investigated.
文摘Two dibenzyltin(IV) complexes with thiobenzoate ligand, (PhCH2)2Sn(SOCPh)2 (1) and (PhCH2)2Sn(Cl)SOCPh (2), have been synthesized by the reaction of dibenzyltin(IV) dichloride with thiobenzoic acid in the presence of organic base Et3N and characterized by IR, 1H NMR spectroscopy and elemental analysis. Their crystal structures were determined by X-ray single crystal diffraction analysis. In the crystals of 1, the tin atom is six-coordinated in a distorted octahedron configuration. In the crystals of 2, the molecular packing in unit cell reveals that the two adja-cent molecules are symmetrically linked to each other to form a dimer with intermolecular Sn…Cl distances of 0.3591(2) nm and the tin atom is five-coordinated in a distorted trigonal bipyramid configuration.
文摘Dibenzyltin bis(dithiomorpholinocarbamate) was synthesized by the reaction of dibenzyltin dichloride with dithiomorpholinocarbamate. The compound was characterized by elemental analysis, IR, 1H NMR and MS. and the crystal structure was determined by X ray single crystal diffraction. The crystal belongs to orthorhombic with space group Pca21, a=1.8327(3)nm, b= 0.65678(12)nm, c=2.2583(4)nm, Z=4, V=2.718 (9)nm3, Dx=1.528g·cm-3,μ=1.271mm-1, F(000)=1272, R1=0.0434, wR2=0.1152. In the crystals, the structures consist of discrete molecules containing six coordinate tin atoms in a distorted octahedron configuration.
文摘Dibenzyltin bis(dithiotetrahydropyrrolocarbamate) was synthesized by the rea ction of dibenzyltin dichloride with dithiotetrahydropyrrolocarbamate. The compo und was characterized by elemental analysis, IR, 1H NMR and MS. and the crystal structure was determined by X-ray single crystal diffraction. The crystal bel ongs to orthorhombic with space group Pccn, a=2.1665(6)nm, b=0.9932(3)nm, c=1.19 79(3)nm,á=90a=90?=90穋m-3,ì (MoKá)=1.330mm-1,F(000)=1208,R1=0.0341, wR2=0.0627. In the crystals, the str uctures consist of discrete molecules in which the tin atom is six-coordinate in a distorted octahedron configuration. CCDC: 179919.
