Correlation relationships of 10 topological indices and molar refraction for 47 struc- turally-complicated organotins which included 16 ionic compounds R_mSnX_(4-m) and 31 covalent ones R_4Sn that is 41 aliphatic comp...Correlation relationships of 10 topological indices and molar refraction for 47 struc- turally-complicated organotins which included 16 ionic compounds R_mSnX_(4-m) and 31 covalent ones R_4Sn that is 41 aliphatic compounds(15 unsaturated and 26 saturated)and 6 aromatic ones were studied.Suitability of these ten topological parameters for describing the structure of elemental or- ganic compounds was then evaluated according to the correlation results.Two lately improved molecular connectivity indices(MCIs)-radius-corrected MCI ~1X^r and bond-length-corrected MCI ~1X^b were applied and proved to be most suitable for the structure expression in QSA(P)R studies of organotins or other elemental organic compounds.展开更多
The title compound {[（C6H5CH2）2Sn]2（O）（Cl2）}2 has been synthesized by the reaction of bisbenzyltin dichloride with NaOH dilute solution, and its structure was determined by X-ray diffraction. The crystal belongs...The title compound {[（C6H5CH2）2Sn]2（O）（Cl2）}2 has been synthesized by the reaction of bisbenzyltin dichloride with NaOH dilute solution, and its structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group C2/c, with a = 2.5081（17）, b = 1.0089（7）, c = 2.0909（14） nm, β = 94.267（8）°, V= 5.276（6） nm^3, Z = 4, De= 1.734 g/cm^3,μ（MoKa） = 21.55 cm^-1, F（000） = 2704, R = 0.0398 and Rw = 0.1024. According to structural analysis, the tin atom adopts a distorted five-coordinate trigonal bipyramidal geometry, and the ladder-like structure is shaped by one planar four-membered Sn2O2 ring together with two planar four-membered Sn2OCl rings.展开更多
Z)-1-[2-(Tri-o-tolylstannyl)vinyl]-1-indanol (1) and (Z)-1-[2-(tri-p-tolylstannyl)vinyl]-1-indanol (2) were syn-thesized by the addition reaction of 1-ethynylindanol with tri-o-tolyltin and tri-p-tolyltin hydride. The...Z)-1-[2-(Tri-o-tolylstannyl)vinyl]-1-indanol (1) and (Z)-1-[2-(tri-p-tolylstannyl)vinyl]-1-indanol (2) were syn-thesized by the addition reaction of 1-ethynylindanol with tri-o-tolyltin and tri-p-tolyltin hydride. The aryl groups in compound 1 and 2 were substituted by Br2 or I2 to yield monohalide derivatives (36). The compounds 16 were characterized by elemental analysis, 1H NMR and FT-IR spectroscopy. The crystal structures of 1, 2 and 4 have been determined by single crystal X-ray diffraction analysis. The Sn atom in 1 and 2 exhibits a tetrahedral geometry distorted towards trigonal bipyramid due to a weak intramolecular interaction between Sn and the hydroxyl O atoms [0.2839(4) nm and 0.2744(5) nm], while the Sn atom in 4 adopts a trigonal bipyramidal geometry with a significant O→Sn(1) interaction [0.2552(5) nm].展开更多
(E)-[(2-Cyclohexenyl)vinyl]triaryltin (aryl=phenyl, p-tolyl) were synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy. The crystal structure of (E)-[(2-cyclohexenyl)vinyl]triphenyltin was als...(E)-[(2-Cyclohexenyl)vinyl]triaryltin (aryl=phenyl, p-tolyl) were synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy. The crystal structure of (E)-[(2-cyclohexenyl)vinyl]triphenyltin was also determined by the X-ray diffraction. Experiments show that this compound has the conjugated system, which makes it have possible bioactivity and antitumor activity.展开更多
基金This work was supported by the National Natural Science Foundation of China
文摘Correlation relationships of 10 topological indices and molar refraction for 47 struc- turally-complicated organotins which included 16 ionic compounds R_mSnX_(4-m) and 31 covalent ones R_4Sn that is 41 aliphatic compounds(15 unsaturated and 26 saturated)and 6 aromatic ones were studied.Suitability of these ten topological parameters for describing the structure of elemental or- ganic compounds was then evaluated according to the correlation results.Two lately improved molecular connectivity indices(MCIs)-radius-corrected MCI ~1X^r and bond-length-corrected MCI ~1X^b were applied and proved to be most suitable for the structure expression in QSA(P)R studies of organotins or other elemental organic compounds.
基金Supported by the Science and Technology Fund of Hunan Province (2007FJ4140)the Key Fund of Education Committee of Hunan Province (06009)the Construct Program of the Key Discipline in Hunan Province
文摘The title compound {[（C6H5CH2）2Sn]2（O）（Cl2）}2 has been synthesized by the reaction of bisbenzyltin dichloride with NaOH dilute solution, and its structure was determined by X-ray diffraction. The crystal belongs to monoclinic, space group C2/c, with a = 2.5081（17）, b = 1.0089（7）, c = 2.0909（14） nm, β = 94.267（8）°, V= 5.276（6） nm^3, Z = 4, De= 1.734 g/cm^3,μ（MoKa） = 21.55 cm^-1, F（000） = 2704, R = 0.0398 and Rw = 0.1024. According to structural analysis, the tin atom adopts a distorted five-coordinate trigonal bipyramidal geometry, and the ladder-like structure is shaped by one planar four-membered Sn2O2 ring together with two planar four-membered Sn2OCl rings.
文摘Z)-1-[2-(Tri-o-tolylstannyl)vinyl]-1-indanol (1) and (Z)-1-[2-(tri-p-tolylstannyl)vinyl]-1-indanol (2) were syn-thesized by the addition reaction of 1-ethynylindanol with tri-o-tolyltin and tri-p-tolyltin hydride. The aryl groups in compound 1 and 2 were substituted by Br2 or I2 to yield monohalide derivatives (36). The compounds 16 were characterized by elemental analysis, 1H NMR and FT-IR spectroscopy. The crystal structures of 1, 2 and 4 have been determined by single crystal X-ray diffraction analysis. The Sn atom in 1 and 2 exhibits a tetrahedral geometry distorted towards trigonal bipyramid due to a weak intramolecular interaction between Sn and the hydroxyl O atoms [0.2839(4) nm and 0.2744(5) nm], while the Sn atom in 4 adopts a trigonal bipyramidal geometry with a significant O→Sn(1) interaction [0.2552(5) nm].
文摘(E)-[(2-Cyclohexenyl)vinyl]triaryltin (aryl=phenyl, p-tolyl) were synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy. The crystal structure of (E)-[(2-cyclohexenyl)vinyl]triphenyltin was also determined by the X-ray diffraction. Experiments show that this compound has the conjugated system, which makes it have possible bioactivity and antitumor activity.
