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
The novel dibenzyltin bis(2-quininate) has been synthesized. The crystal structure of the complex was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21/c with a=1.840 05(14) nm, b=2.35...The novel dibenzyltin bis(2-quininate) has been synthesized. The crystal structure of the complex was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21/c with a=1.840 05(14) nm, b=2.353 66(18) nm, c=2.044 31(16) nm, β=99.3130(10)°, V=8.736 9(12) nm3, Z=4, Dc=1.507 g·cm-3, μ(Mo Kα)=9.21 cm-1, F(000)=4 016, R1=0.041 4, wR=0.082 1. In this compound, the tin atom rendered six-coordinated in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 609510.展开更多
The organotin(Ⅳ) compound ( p-NCC6H4CH2)4Sn was synthesized by the reaction of p-cyanobenzyl chloride with tin. The compound was characterized by elemental analysis, IR, 1H NMR, and the crystal structure was determin...The organotin(Ⅳ) compound ( p-NCC6H4CH2)4Sn was synthesized by the reaction of p-cyanobenzyl chloride with tin. The compound was characterized by elemental analysis, IR, 1H NMR, and the crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic, space group P1 with a=0.894 1(4) nm, b=0.977 9(4) nm, c=1.796 8(8) nm, V=1.386 9(11) nm3, Z=2, Dc=1.397 Mg·m-3, μ(Mo Kα)=0.948 mm-1, F(000)=588, R1=0.046 9, wR2=0.101 4. The tin atom adopts a distorted tetrahedral coordination geometry. CCDC: 272939.展开更多
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The novel dibenzyltin bis(2-quininate) has been synthesized. The crystal structure of the complex was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21/c with a=1.840 05(14) nm, b=2.353 66(18) nm, c=2.044 31(16) nm, β=99.3130(10)°, V=8.736 9(12) nm3, Z=4, Dc=1.507 g·cm-3, μ(Mo Kα)=9.21 cm-1, F(000)=4 016, R1=0.041 4, wR=0.082 1. In this compound, the tin atom rendered six-coordinated in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 609510.
文摘The organotin(Ⅳ) compound ( p-NCC6H4CH2)4Sn was synthesized by the reaction of p-cyanobenzyl chloride with tin. The compound was characterized by elemental analysis, IR, 1H NMR, and the crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic, space group P1 with a=0.894 1(4) nm, b=0.977 9(4) nm, c=1.796 8(8) nm, V=1.386 9(11) nm3, Z=2, Dc=1.397 Mg·m-3, μ(Mo Kα)=0.948 mm-1, F(000)=588, R1=0.046 9, wR2=0.101 4. The tin atom adopts a distorted tetrahedral coordination geometry. CCDC: 272939.
