The novel complex tri(o chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X ray diffraction.The crystal belong to orthorhombic with space group Pbc...The novel complex tri(o chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X ray diffraction.The crystal belong to orthorhombic with space group Pbca with a=0.1242(5), b=1.7242(7), c=3.0583(13)nm, V=5.928(4)nm3,Z=8, Dc=1.623g·cm-3,μ(MoKα)= 0.1631cm-1,F(000)=2896,R1=0.0461,wR2=0.0931. The bond lengths of Sn C is 0.2148(4), 0.2152(6) and 0.2176(5)nm, respectively. The Sn O is 0.2073(4)nm. The tin atom has a distorted tetrahedral geometry. The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stability of the complex, some frontier molecular orbital energies, the populations of the atomic net charges in complex and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 184267.展开更多
The tri(o-chlorobenzyl)tin ester of 2-indolylcarboxylic acid has been synt hesized and characterized by elemental analysis, IR and 1H NMR. The crystal stru cture has been determined by X-ray single crystal diffraction...The tri(o-chlorobenzyl)tin ester of 2-indolylcarboxylic acid has been synt hesized and characterized by elemental analysis, IR and 1H NMR. The crystal stru cture has been determined by X-ray single crystal diffraction. The crystal belon gs to triclinic with space group P1, a=1.020 0(16) nm, b=1.125 9(18) nm, c=1.321 (2) nm, 8)穖-3,展开更多
IMG SRC="IMAGE/11170016.JPG" HEIGHT=11 WIDTH=12> Tri(o chlorbenzyl)tin dithiotetrahydropyrrolocarbamate 1 and tri(o fluorbenzyl)tin dithiotetrahydropyrrolocarbamate 2 were synthesized. Their structures we...IMG SRC="IMAGE/11170016.JPG" HEIGHT=11 WIDTH=12> Tri(o chlorbenzyl)tin dithiotetrahydropyrrolocarbamate 1 and tri(o fluorbenzyl)tin dithiotetrahydropyrrolocarbamate 2 were synthesized. Their structures were characterized by elementary analysis, IR and 1H NMR and the crystal structures were determined by X ray single crystal diffraction. The crystal 1 belongs to triclinic with space group , a=0.9076(4)nm, b=1.0663(5)nm, c=1.5193(7)nm, α =75.811(6)° ,β =89.344(6)° , γ =72.665(6)° , Z=2, V=1.3577(11)nm3, Dc=1.569g· cm- 3, μ =1.406mm- 1, F(000)=644, R=0.0282, wR=0.0617. The crystal 2 belongs to monoclinic with space group P21/c, a=1.355(2)nm, b=1.0143(16)nm, c=1.986(3)nm, β =109.94(2)° , Z=4, V=2.565(7)nm3, Dc=1.539g· cm- 3, μ =1.195mm- 1, F(000)=1200, R=0.0467, wR=0.0788. In the crystals of 1 and 2, the structures consist of discrete molecules containing five coordinate tin atom in a distorted trigonal bipyramidal configuration. CCDC: 1, 213679; 2, 213680.展开更多
A novel organotin complex [(o-Cl-PhCH2)2Sn(OCOC9H6N)2]·2(C6H6) has been s ynthesized. The crystal structures of the complex was determined by X-ray diffra ction.The crystal belongs to monoclinic space group P2/c ...A novel organotin complex [(o-Cl-PhCH2)2Sn(OCOC9H6N)2]·2(C6H6) has been s ynthesized. The crystal structures of the complex was determined by X-ray diffra ction.The crystal belongs to monoclinic space group P2/c with a=1.322(4) nm, b=1 .035(3) nm, c=1.498(4) nm, 穋m-3, 243549.展开更多
文摘The novel complex tri(o chlorobenzyl)tin ferrocenecarboxylate have been synthesized.The crystal structure of the complex has been determined by X ray diffraction.The crystal belong to orthorhombic with space group Pbca with a=0.1242(5), b=1.7242(7), c=3.0583(13)nm, V=5.928(4)nm3,Z=8, Dc=1.623g·cm-3,μ(MoKα)= 0.1631cm-1,F(000)=2896,R1=0.0461,wR2=0.0931. The bond lengths of Sn C is 0.2148(4), 0.2152(6) and 0.2176(5)nm, respectively. The Sn O is 0.2073(4)nm. The tin atom has a distorted tetrahedral geometry. The study on title complex has been performed,with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stability of the complex, some frontier molecular orbital energies, the populations of the atomic net charges in complex and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 184267.
文摘The tri(o-chlorobenzyl)tin ester of 2-indolylcarboxylic acid has been synt hesized and characterized by elemental analysis, IR and 1H NMR. The crystal stru cture has been determined by X-ray single crystal diffraction. The crystal belon gs to triclinic with space group P1, a=1.020 0(16) nm, b=1.125 9(18) nm, c=1.321 (2) nm, 8)穖-3,
文摘IMG SRC="IMAGE/11170016.JPG" HEIGHT=11 WIDTH=12> Tri(o chlorbenzyl)tin dithiotetrahydropyrrolocarbamate 1 and tri(o fluorbenzyl)tin dithiotetrahydropyrrolocarbamate 2 were synthesized. Their structures were characterized by elementary analysis, IR and 1H NMR and the crystal structures were determined by X ray single crystal diffraction. The crystal 1 belongs to triclinic with space group , a=0.9076(4)nm, b=1.0663(5)nm, c=1.5193(7)nm, α =75.811(6)° ,β =89.344(6)° , γ =72.665(6)° , Z=2, V=1.3577(11)nm3, Dc=1.569g· cm- 3, μ =1.406mm- 1, F(000)=644, R=0.0282, wR=0.0617. The crystal 2 belongs to monoclinic with space group P21/c, a=1.355(2)nm, b=1.0143(16)nm, c=1.986(3)nm, β =109.94(2)° , Z=4, V=2.565(7)nm3, Dc=1.539g· cm- 3, μ =1.195mm- 1, F(000)=1200, R=0.0467, wR=0.0788. In the crystals of 1 and 2, the structures consist of discrete molecules containing five coordinate tin atom in a distorted trigonal bipyramidal configuration. CCDC: 1, 213679; 2, 213680.
文摘A novel organotin complex [(o-Cl-PhCH2)2Sn(OCOC9H6N)2]·2(C6H6) has been s ynthesized. The crystal structures of the complex was determined by X-ray diffra ction.The crystal belongs to monoclinic space group P2/c with a=1.322(4) nm, b=1 .035(3) nm, c=1.498(4) nm, 穋m-3, 243549.
