作者机构:
[邝代治; 庾江喜; 张复兴; 朱小明; 蒋伍玖; 冯泳兰; 王剑秋] Key Laboratory of Functional Organometallic Materials of College of Hunan Province, Department of Chemistry and Material Science, Hengyang Normal University, Hengyang 421008, China
通讯机构:
[Kuang, D.] K;Key Laboratory of Functional Organometallic Materials of College of Hunan Province, Department of Chemistry and Material Science, Hengyang Normal University, China
摘要:
A novel diorganotin (IV) compound [n-Bu2SnO2CC(O)Ph2]n has been synthesized by dibutyltin oxide with benzilic acid in methanol. It was characterized by IR, elemental analysis and X-ray single crystal diffraction. The crystal belongs to monoclinic system, space group Cc with the cell parameters: a=1.84719(8) nm, b=1.20544(5) nm, c=1.03570(4) nm, β=112.571(3)°, V=2.12953(15) nm3, Z=4, Dc=1.431 g/cm3, μ(MoKa)=1.217 mm-1, F(000)=936, R1=0.0488 and wR2=0.0953. The structural analyses reveal that the compound is a one-dimensional infinite chain coordination polymer, each tin atom is five-coordinated distorted trigonal bipyramidal configuration. Moreover, 3D supramolecular structure of the compound is assembled by intermolecular C-H⋯π interactions between the butyl group and the benzene ring in the adjacent chains.
作者机构:
[Fu, Wei-Wei; Liang, Yan-Fei; Liu, Yang; Zhu, Xiao-Ming] Key Laboratory of Functional Organometallic Materials of General Colleges and Universities in Hunan Province, Department of Chemistry and Materials Science, Hengyang Normal University, Hengyang 421008, People's Republic of China
通讯机构:
[Fu, W.-W.] D;Department of Chemistry and Materials Science, Key Laboratory of Functional Organometallic Materials of General Colleges, Hengyang Normal University, Hengyang 421008, China
摘要:
The title compound, C20H14N4, is a new polymorph of the previously reported structures, which were orthorhombic, space group Pbca [Bei et al. (2000). Acta Cryst. C56, 718-719] and monoclinic, space group P21/c [Dudd et al. (2003). Green Chem. 5, 187-192]. The asymmetric unit consists of two independent molecules in which the dihedral angels between the central benzene ring and the outer benzimidazole ring systems are 16.81 (10) and 14.23 (10)° in one molecule and 26.09 (10) and 37.29 (10)° in the other. In the crystal, molecules are linked by N-H⋯N and C-H⋯N hydrogen bonds into a tape running along the c-axis direction.
摘要:
Tricyclohexyltin 4-amino-3-methyl-benzoate (1) and tricyclohexyltin 3,4-dime-thoxybenzoate (2) were synthesized and their crystal structures were determined by X-ray diffraction. Compound 1 belongs to the monoclinic system, space group P2_(1/c) with a = 14.0554(15), b = 11.6947(13), c = 16.2720(17) A,Z = 4, V= 2565.7(5) A~3, D_c = 1.341 g?em~(-3), μ(MoKa) = 1.016 mm~(-1), F(000) = 1080, R= 0.0833 and wR = 0.2964. Compound 2 is of monoclinic system, space group C2Jc with a = 17.8712(6), b = 8.4433(3), c = 35.5783(13) A, Z= 8, V= 5366.8(3) A~3, D_c = 1.360 g?cm~(-3), μ(MoKa) = 0.980 mm-1, F(000) = 2288, R= 0.0549, wR= 0.1279. In compounds 1 and 2, the central Sn atom is coordinated in a tetradentate manner to assume a distorted tetrahedral configuration. Preliminary biological tests showed that these two compounds have strong acaricidal activity.
摘要:
An organooxotin cluster [(μ-O)(μ-OMe)(L)Sn_2(CH_2Ph)_4]_2 (HL=(MeO)_2C_6H_3CO_2H) has been synthesized by the dealkylation reaction of (PhCH_2)_3SnCl with 3,4-dimethoxybenzoic acid in methanol, and was characterized by UV, IR, elemental analysis and X-ray crystal diffraction. The crystal belongs to triclinic system, space group P1 with the cell parameters: a=1.225 6(5) nm, b=1.229 4(5) nm, c=1.378 0(5) nm, α=69.784(7)°, β=68.568(7)°, γ=72.926(7)°, V=1.7801(12) nm~3, Z=1, D_c=1.549 g·cm~(-3), μ(Mo Kα)=1.447 mm~(-1), F(000)=832, R_1=0.026 1 and wR_2=0.0606. Crystal structure shows a distorted trigonal bipyramidal configuration with five-coordination for the central tin atom, and the complex has a centrosymmetric structure mode with a four-membered central endocyclic Sn_2O_2 unit. Due to the C-H…π interactions between phenyl-H and benzene ring, the adjacent molecules of the complex is linked to generate 1D ribbon structure. A theoretical investigation of one structural unit of the title complex was carried out using Gaussian 03W at LANL2DZ level. The stability and the composition of the frontier molecular orbitals confirmed the coordination geometry of the crystal structure. Thermogravimetric analysis shows that the complex is stable up to 128℃. Moreover, its fluorescence spectra was also investigated. CCDC: 841414.
摘要:
Two dinuclear organotin complexes C_8H_(14)(CO_2SnCy_3)_2 (1) (Cy = cyclohexyl group) and C_8H_(14)[CO_2Sn(CH_2CMe_2Ph)_3]_2 (2) were synthesized by the reactions of camphoric acid with tricyclohexyltin hydroxide and bis[tri(2-methyl-2-phenyl)propyltin] oxide under solvothermal conditions, and these complexes were characterized by infrared spectra, elemental analyses, and H NMR spectra. The crystal of 1 belongs to the monoclinic system, space group P2_1/c with a = 1.83478(19), b = 1.52707(18), c = 1.9849(2) nm,β= 122.515(7)°, Z= 4, V= 4.6896(9) nm~3, D_c = 1.324 g/cm~3, μ(MoKa) = 1.103 mm~(-1), F(000) = 1952,R = 0.0697 and wR= 0.2040. In addition, thermal stability and quantum chemical calculation of 1 were also studied.
摘要:
三[(2-甲基-2-苯基)丙基]氯化锡经碱性条件水解,得氧化双[三(2-甲基-2-苯基)丙基锡](1),1与吡啶-4-甲酸反应,合成了三(2-甲基-2-苯基)丙基锡吡啶-4-甲酸酯(2),经IR、元素分析、X-射线单晶衍射表征结构,还测定了化合物2的1 H和13 C NMR谱。结果表明:1和2中心锡原子均为畸变四面体构型;2的晶体中,存在着C-H…O、C-H…N、C-H…C等氢键,拓展成三维超分子网络。