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1.
X-ray structural analysis has been performed for two complex compounds: Cu(en)2(o-HB)2H2O (I) (a = 16.873(4) Å, b = 8.713(2) Å, c = 14.803(3) Å, β = 91.15(2)°, V = 2175.8(8) Å3, C2/c, Z = 4, R(F) = 0.0263, 1516 reflections with I > 3σ (I)) and [Cu(en)2(OH2)2]2+(o-AB?)2 (II) (a = 7.488(5) Å, b = 22.122(8) Å, c = 7.856(5) Å, β = 118.77(2)°, V = 1140.7(11) Å3, P21/n, Z = 2, R(F) = 0.0432, 1684 reflections with I > 3σ(I)) synthesized under identical conditions (en is ethylenediamine, o-HB is o-hydroxybenzoate, and o-AB is o-aminobenzoate). Although the compounds were assumed to have similar structures and the Cu-Lig bond lengths and the cis and trans angles are acceptable for an octahedral structure, the geometric parameters of o-HB suggest that the copper atom has a plane square environment.  相似文献   

2.
trans-Bis-(4-phenyliminopentan-2-onato)Cu(II) (5), which is a phenyl-substituted ketoimine, was synthesized, and an X-ray study was performed for this compound. Crystal data for CuN2O2C22H24: a = 11.4557(3) Å, b = 26.6845(9) Å, c = 14.2976(5) Å, β = 113.2270(10)°; space group P21/n, Z = 8, d calc = 1.363 g/cm3, R = 0.033. The structure is molecular and built of isolated trans complexes. The central copper atom is surrounded by four atoms (2O+2N) with the average distances Cu-O 1.904(3) Å and Cu-N 1.962(3) Å. The polyhedron around the copper atom is a distorted tetrahedron; the average values of the O-Cu-O and N-Cu-N trans bond angles are 147(2)° and 150(2)°, respectively. The average value of the O-Cu-N angles is 94(1)°.  相似文献   

3.
The structure of 1,8-bis(fluoroboro)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza-4,5,11,12-tetraphenyl-17,18-bisc(tert-butylamino)-bicyclo[6.6.6]eicosa-3,5,10,12,16,18-hexaene(2−)iron(2+) tris-dioximate clathrochelate was determined by X-ray diffraction (XRD) analysis. The compound has a molecular structure and crystallizes as triclinic crystals: a = 10.7673(2) Å, b = 11.9520(4) Å, c = 22.5473(7) Å, α = 75.729(1)°, β = 89.161(1)°, γ = 65.334(1)°, V = 2542.64(13) Å3, Z = 2, space group 1. P1ˉ. Original Russian Text Copyright ? 2007 by A. B. Burdukov, N. V. Pervukhina, M. A. Vershinin, and Ya. Z. Voloshin __________ Translated from Zhurnal Strukturnoi Khimii, Vol. 48, No. 2, pp. 366–369, March–April, 2007.  相似文献   

4.
2-Dimethylamino methylenechromanone 1 reacted with 4H-1,2,4-triazol-3-amine in acetic acid to give only one isolated product which was identified by X-ray study as 6H-chromeno[3,4-e][1,3,4]triazolo[2,3-a]-pyrimidine. The molecular structure of 3, C12H8N4O, was determined to be monoclinic, P21/c, a = 16.3875(5), b = 8.8378(3), c = 13.8392(5) Å, β = 101.190(1)°, V = 1966.22(11) Å3, Z = 8.  相似文献   

5.
The complex [(CH3)2NC(NH2)NHC(NH2)NH2]SiF6 (I) was synthesized and its structure was determined by X-ray crystallography. The crystals are monoclinic: a = 7.4346(10) Å, b = 12.7628(10) Å, c = 11.0828(10) Å, β 104.080(10)°, V = 1020.01(18) Å3, ρcalc = 1.780 g/cm3, μ(MoK α) = 0.302 mm?1, Z = 4, space group P21/c. The crystals of I are composed of SiF 6 2? anions (Si-F, 1.657(2)–1.699(2) Å) and N,N-dimethylbiguanidinium (H2L2+) cations combined in a framework by interionic H-bonds NH···F. In the cations, protonation sites are the terminal imide groups.  相似文献   

6.
A copper(II) complex with salicylaldehyde N-(2-salicylideneiminoglutaryl)hydrazone (H4L) of the formula [Cu2L · 2Py]2 · 8H2O (I) was obtained and characterized by X-ray diffraction. The crystals are monoclinic, space group P21, a = 13.0663 Å, b = 16.5553 Å, c = 17.7650 Å, β = 97.9420°; Z = 4. The complex is tetranuclear with a “dimer-of-dimers” structure in which the copper cations of two binuclear subunits are linked by phenoxy bridges. The EPR spectra of solutions of complex I show a superposition of two signals of four HFS lines (g 1 = 2.111, a 1 = 56.8 × 10?4 cm?1 and g 2 = 2.183, a 2 = 71.0 × 10?4 cm?1).  相似文献   

7.
Reactions of acetamide with platinum(II) diamines [Pt(N,N-DimeEn)Cl2], [Pt(Tm)Cl2], and [Pt(N,N-DimeTm)Cl2] (N,N-DimeEn = (CH3)2N(CH2)2NH2, Tm = NH2(CH2)3NH2, N,N-DimeTm = (CH3)2N(CH2)3NH2) with preliminary precipitation of chlorine ions by silver salts gave binuclear Pt(II) acetamidates [Pt2(CH3)2N(CH2)2NH2)2(μ-NHCOCH3)2](NO3)2 · H2O (I), [Pt2(NH2(CH2)3NH2)2)(μ-NHCOCH3)2](NO3)2 · H2O (II), and [Pt2(CH3)2N(CH2)3NH2)2(μ-NHCOCH3)2](HSO4)2 (III), whose crystal structures were determined. Crystals of I are monoclinic: a = 14.459(2) Å, b = 17.197(3) Å, c = 9.822(2) Å, β = 105.923(10)°, V = 3348.6(8) Å3, space group P2(1)/c, Z = 4, R hkl = 0.0419 for 6663 reflections. Complex I is a binuclear acetamidate with bridging (NHCOCH3)? ligands, one of which is bound to two Pt atoms through the N and O atoms, and the other ligand is bound only through the N atom. The Pt-Pt distance is 2.987(1) Å. Crystals of II are monoclinic: a = 10.213(7) Å, b = 13.373(9) Å, c = 16.533(11) Å, β = 97.971(9)°, V = 2236(3) Å3, space group P2(1)/n, Z = 4, R hkl = 0.557 for 6462 reflections. The Pt-Pt distance is 3.057(1) Å. Crystals of III are monoclinic: a = 10.557(12) Å, b = 18.531(2) Å, c = 14.4744(17) Å, β = 108.705(2)°, V = 2682(5) Å3, space group P2(1)/n, Z = 4, R hkl = 0.569 for 8506 reflections. The Pt-Pt distance is 3.202(1) Å. Complexes II and III are binuclear acetamidates, in which two chelating Pt(Tm) or Pt(N,N-DimeTm) moieties are coordinated through the N and O atoms of (NHCOCH3)? cis-bridges.  相似文献   

8.
The centrosymmetric binuclear complex of samarium(III) nitrate with bicyclic biscarbamide 2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo(3.3.0)octane-3,7-dione, or mebicar (Mk) namely, [Sm(C8H14N4O2)(H2O)2(NO3)3]2 (I) has been synthesized. Its crystal structure has been characterized (CIF file CCDC no. 1451436). Crystals of complex I are triclinic, space group P1 a = 9.8661(2) Å, b = 10.2913(3) Å, c = 10.9629(3) Å, α = 74.475(2)°, β = 67.802(2)°, γ = 67.570(2)°, V = 942.68(5) Å3, ρcalcd = 2.01028 g/cm3, and Z = 1. The samarium atom is coordinated by the two oxygen atoms of two Mk molecules bonded via the symmetry center, three bidentate nitrate anions, and two water molecules. The coordination number of the samarium atom is 10, the coordination polyhedron of the metal atom is a decahedron and the Sm…Sm distance is 9.7904(4) Å.  相似文献   

9.
The crystal structure of [Cu(En)2CrO4]n (En is ethylenediamine) is determined: a = 14.7359(4) Å, b = 9.8083(3) Å, c = 14.2664(4) Å, V = 2061.98(10) Å3, space group Cmce, Z = 8, dx = 1.931 g/cm3. It is demonstrated that the studied phase is isostructural with [Сu(Еn)2SO4]n. A pseudotetragonal copper atom coordination (Cu–N 2.0204 Å and 2.0244 Å, ∠N–Cu–N 84.73°) is completed to distorted octahedral by two oxygen atoms of chromate anions (Cu–O 2.433 Å and 2.380 Å).  相似文献   

10.
Triclinic modification of trans-bis(trifluoroacetylacetonato)copper(II) is studied by single crystal X-ray diffraction (diffractometer X8 APEX BRUKER, MoK α radiation, T = 173(2) K). The structure is molecular. Square environment of the Cu atom (Cu-Oav 1.916 Å, ∠O-Cu-Oav 93.4°) is completed to a bipyramid by two atoms of neighboring molecules, Cu...Cγ 3.18 Å and 3.23 Å.  相似文献   

11.
The crystal structures of the compounds trans-[Rh(en)2Cl2]Cl2 · H5O2 (I), trans-[Rh(en)2Cl2]ClO4 (II), and trans-[Rh(en)2Cl2]ReO4 (III) are determined. The crystal data are: I, a = 10.860(3) Å, b = 7.795(2) Å, c = 9.023(3) Å; β = 111.56(10)°, P21/c space group, Z = 4, d x = 1.875 g/cm3; II, a = 6.593(2) Å, b = 8.309(3) Å, c = 11.922(4) Å, α = 83.55(10)°, β = 79.80(10)°, γ = 75.38(10)°, P \(\bar 1\) space group, Z = 2, d x = 2.106 g/cm3; III, a = 6.533(2) Å, b = 16.391(4) Å, c = 12.411(3) Å; β = 98.30(10)°, P21/c space group, Z = 4, d x = 2.749 g/cm3. The compounds are examined by IR spectroscopy and powder XRD. The solubility of the isolated crystalline phases in water decreases in the following order: trans-[Rh(en)2Cl2]Cl2·H5O2 > trans-[Rh(en)2Cl2]ClO4 > trans-[Rh(en)2Cl2]ReO4.  相似文献   

12.
Cobalt (III) complexes with N-salicylidene-2-hydroxy-5-bromobenzylamine (H2sbba) and N-salicylidene-2-hydroxy-5-chlorobenzylamine (H2scba), [n-(C4H9)4N][Co(sbba)2] (I) and [n-(C4H9)4N][Co(scba)2] (II), were synthesized. The crystal structure of II was determined by the single-crystal X-ray diffraction method at 90 K confirming its crystallization in the monoclinic space group P21/n with a = 11.729(2) Å, b = 16.901(3) Å, c = 21.483(4) Å, β = 98.840(4)°, V = 4208.2(14) Å3, Dx = 1.295 g cm?3, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values of 0.0664 and 0.1920, respectively, for all 9521 independent reflections. The compound is composed of a tetra(n-butyl)ammonium cation and an octahedral cobalt(III) complex anion with two scba2? ligands in a meridional fashion. The electronic spectral features of I and II are consistent with the octahedral cobalt(III) ion with an N2O4 donor set.  相似文献   

13.
The structures of tris-hexafluoroacetylacetonates Al(hfa)3 and Sc(hfa)3·H2O are determined by single crystal X-ray crystallography (Bruker-Nonius X8 Apex diffractometer, MoK α radiation, T = 150(2) K). The Al(hfa)3 complex is trigonal, a = 17.8944(11) Å, c = 12.4061(11) Å, P-3c1 space group, V = 3440.3(4) Å3, Z = 6, R = 0.076. The Sc(hfa)3·H2O complex is monoclinic, a = 16.0926(4) Å, b = 14.7980(3) Å, c = 24.4020(5) Å, β = 125.641(1)°, P21/c space group, V = 4722.54(18) Å3, Z = 8, R = 0.060. The structures of the complexes are formed by neutral molecules; the coordination environment of the metal atom involves six oxygen atoms of three β-diketone ligands (Al(hfa)3) and, additionally, a water oxygen atom (Sc(hfa)3·H2O). The shortest Al...Al distance is 6.203(6) Å. The Sc(hfa)3·H2O molecules are joined in dimers by hydrogen bonds with Sc...Sc separations of 5.6992(8) Å and 5.6853(8) Å. In the crystals, the molecules are joined by van der Waals interactions, moreover, there are intermolecular contacts F...H ~ 2.5 Å in the structure of Sc(hfa)3·H2O.  相似文献   

14.
Two new oxovanadium(V) complexes, [VOL1(OCH3)(CH3OH)] (I) and [VOL2(OCH3)] (II), where L1 and L2 are the di-anionic form of N'-[1-(5-fluoro-2-hydroxyphenyl)methylidene]nicotinohydrazide and N'-(5-fluoro-2-hydroxybenzylidene)-2-hydroxynaphthylhydrazide, respectively, have been synthesized and characterized by elemental analysis, FT-IR spectra, and single crystal X-ray determination (CIF files CCDC nos. 891852 (I), 891853 (II)). The crystal of I is monoclinic: space group P21/c, a = 8.061(1), b = 15.293(2), c = 13.471(2) Å, ß = 92.595(2)°, V = 1658.8(4) Å3, Z = 4. The crystal of II is monoclinic: space group P21/n, a = 7.4454(9), b = 8.0833(9), c = 28.906(2) Å, ß = 92.644(2)°, V = 1737.8(3) Å3, Z = 4. The V atom in I is in an octahedral coordination, and that in II is in a square-pyramidal coordination. The antibacterial activity of the compounds against various bacteria was assayed.  相似文献   

15.
The temperature dependence of the saturated vapor pressure of the trans-Pt(ktf)2 complex obtained from fluorinated β-ketoimine (CF3-CO-CH2-C(NH)-CH3) was studied by the flow method. The standard thermodynamic parameters ΔH 0 T and ΔS 0 T of sublimation have been determined. Full crystal-chemical study has been performed for the complex. Crystal data for C10H10F6N2O2Pt: a = 5.9790(8) Å, b = 7.373(2) Å, c = 8.5767(2) Å,α = 84.05(2)°, β = 72.43(1)°, γ = 67.14(1)°, V = 332.1(1) Å3, Z = 1, dcalc = 2.496 g/cm3, triclinic, space group \(P\bar 1\). The structure is molecular and consists of isolated trans-Pt(ktf)2 complexes. The Pt atom lies at the symmetry center and has a square planar environment of two oxygen and two nitrogen atoms; the distances Pt-O (1.984 Å) and Pt-N (1.969 Å) are similar within the limits of 2σ; the OPtN bond angle is 93.9°. Molecular packing in crystal is considered based on structural data; van der Waals energy of the crystal lattice of trans-Pt(ktf)2 was calculated by the atom-atom potential method.  相似文献   

16.
Single crystals of a mixed-ligand cadmium complex of the composition Cd(PHBA)2(MEA) 2 are grown from the solution of Cd(CH3OO)2, p-hydroxybenzoic acid (PHBA) and monoethanolamine (MEA) in aqueous ethanol. The crystallographic data are as follows: a = 11.6400(2) Å, b = 10.1363(1) Å, c = 16.6296(2) Å, β = 93.937(1)°, space group I2/a, V = 1957.44(5) Å3, Z = 4. In the complex molecule located on the twofold axis, ligands of both types are bidentately bound to the cadmium ion having the coordination number 8. In the crystal structure, two H bonds of the O–H???O type combine complex molecules into layers parallel to the ab plane.  相似文献   

17.
The interaction of acrylic acid with tris(hydroxymethyl)aminomethane (I) was studied. A simple method was suggested for preparing N-carboxyethyl-tris(hydroxymethyl)aminomethane (homotricin) (II). On the basis of compound II, the 1:1 Cu complex, [Cu(OCH2C(CH2OH)2NHCH2CH2COO)]4·nH2O (n = 4–11.25) (III), which is alkoxycarboxylate, was synthesized. The crystal structure of III was found to correspond to a cubane-like tetranuclear cluster (an automated Bruker X8Apex diffractometer with CCD detector (MoK α radiation, graphite monochromator, ? = 1.11°?27.5°), 8016 reflections, space group P \(\overline 1 \), a = 12.5573(3), b = 19.1012(4), c = 21.2903(5) Å, α = 80.7770(10)°, β = 75.7430(10)°, γ = 75.2260(10)°, V = 4761.62(19) Å3, ρ(calcd.) = 1.704 g/cm3, Z = 4). The crystals are unstable due to the large number of water molecules.  相似文献   

18.
Two new dioxomolybdenum(VI) complexes, [MoO2L1(MeOH)] (I) and [MoO2L2] (II), where L1 and L2 are the anionic forms of N'-(2-hydroxy-3,5-di-tert-butylbenzylidene)-4-methoxybenzohydrazide and 2-amino-N'-(2-hydroxy-3,5-di-tert-butylbenzylidene)benzohydrazide, respectively, have been synthesized and characterized by elemental analysis, FT-IR spectra, and single crystal X-ray determination (CF files CCDC nos. 1448089 (I), 1487063 (II)). The crystal of I is monoclinic: space group P21/n, a = 7.353(1), b = 24.758(3), c = 13.891(2) Å, β = 101.013(2)°, V = 2482.3(6) Å3, Z = 4, R 1 = 0.0848, wR 2 = 0.2050. The crystal of II is monoclinic: space group P21/c, a = 6.752(1), b = 16.947(1), c = 19.510(1) Å, β = 96.891(2)°, V = 2216.5(4) Å3, Z = 4, R 1 = 0.0670, wR 2 = 0.1638. The Mo atom in complex I is in octahedral coordination, with three donor atoms of the hydrazone ligand, two oxo groups, and one methanol O atom. The Mo atom in complex II is in square pyramidal coordination, with three donor atoms of the hydrazone ligand, and two oxo groups. The complexes have interesting catalytic properties for sulfoxidation reactions.  相似文献   

19.
A novel copper(II) complex {[Cu(BIX)2(H2O)2](PhCOO)2} n (1) (BIX = 1,4-bis(imidazole-1-methyl))-benzene) is synthesized and characterized by elemental analysis, IR, TG, and single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic crystal system with the P-1 space group, Z = 1, a = 9.465(2) Å, b = 9.703(2) Å, c = 12.060(2) Å, α = 77.26(3)°, β = 70.37(3)°, γ = 67.14(3)°, and V = 956.1(3) Å3. The crystal structural analysis of complex 1 shows that the copper center is six-coordinated in an elongated octahedral geometry by four N atoms from four different BIX and two O atoms from two water molecules; two neighboring Cu(II) cations are bridged by two BIX extending into an infinite 1D double chain structure.  相似文献   

20.
The [Co2(tbb)Cl4]?4DMF complex, where tbb is meso-1,2,3,4-tetra(1H-benzo[d]imidazol-2-yl)butane, is synthesized and characterized by single crystal X-ray diffraction. For the complex: C44H54Co2Cl4N12O4, Mr = 1074.65, monoclinic crystal system, space group P21/n, a = 9.2350(13) Å, b = 11.3566(15) Å, c = 23.879(3) Å, β = 90.547(2)°, V = 2504.3(6) Å3, Z = 2, Dc = 1.425 g/cm3, λ = 0.71073 Å, μ(MoKα) = = 0.929 mm–1, F(000) = 1112, S = 1.047, R = 0.0765, and wR = 0.2110 for 13668 observed reflections with I > 2σ(I). It is a neutral dinuclear complex. One meso-1,2,3,4-tetra(1H-benzo[d]imidazol-2-yl)butane coordinates two cobalt(II) ions. Each cobalt(II) ion is formed by two tbb nitrogen atoms and two chloride ions. The antiproliferative activities of the complex are screened by MTT assay against Eca109 cancer cells. The complex exhibits inhibition on the growth of Eca109 cancer cells with IC50 of 22.1±6.7 μM after 48 h treatment. The cobalt complex has potential application in treatment of Eca109 cancer. CCDC 1015791.  相似文献   

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