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1.
Abstract Bis(isothiocyanato)-bis(pyridine) zinc(II) crystal has been prepared at room temperature and characterized by elemental analysis,
IR spectrum and X-ray single crystal determination. The complex crystallizes in monoclinic space group P21/m with unit cell parameters: a = 5.5786(3), b = 11.0587(5), c = 12.1616(6) ?, β = 96.776(3)°, V = 745.03(6) ?3, Z = 2, D
x
= 1.514 g cm−3. The X-ray structure determination has revealed that the crystal is centered-symmetrical and the crystallographic symmetry
face runs the two isothiocyanate ligands and the Zn(II) cation.
Index Abstract The title compound, bis(isothiocyanato)-bis(pyridine) zinc(II), was synthesized by zinc compound, KSCN and C5H5N (pyridine) and its crystal structure was determined. Single crystal X-ray structure determination reveals that the crystal
is centered-symmetrical, and the crystallographic symmetry face runs the two isothiocyanate ligands and the Zn(II) cation.
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2.
Wesley H. Monillas Glenn P. A. Yap Klaus H. Theopold 《Journal of chemical crystallography》2009,39(5):377-379
Abstract Addition of CrI2 to the lithium salt of N-N′-bis(2,6-diisopropylphenyl)-2,4-diketiminate in diethylether yields a Cr(II) iodide complex with a coordinated, solvated
LiI salt. This complex is the intermediate in the synthesis of a bridging iodide complex that is itself a precursor to a side-on
bridging dinitrogen complex. This complex crystallizes in the P21/n space group with the crystal cell parameters a = 12.3160(19) ?, b = 21.067(3) ?, c = 15.837(3)?, β = 96.767°, V = 4080.6(11) ?3 and Z = 4.
Graphical Abstract Addition CrI2 to the lithium salt of N-N′-bis(2,6- diisopropylphenyl)-2,4-diketiminate in diethylether yields a Cr(II) iodide complex with a coordinated, solvated
LiI salt. Herein we report the spectroscopic and structural characterization.
An erratum to this article can be found at 相似文献
3.
Robert T. Stibrany 《Journal of chemical crystallography》2009,39(10):719-722
Abstract Two structures containing pseudo-tetrahedral Cu(II)N2Cl2 coordination complexes are reported. The first molecular structure (A) of the compound, 1,1′bis(1-ethylbenzimidazol-2-yl)propane
copper(II) dichloride (triEtBBIM)Cu(II)Cl2, 1, is reported. The complex crystallized in the triclinic space group P-1 with a = 8.616(3) ?, b = 9.302(3) ?, c = 14.314(4) ?, α = 85.613(6)°, β = 85.170(6)°, γ = 66.117(6)° and V = 1044.1(5) ?3 with Z = 2. The second structure (B) contains 1 and (3,3′bis(1-ethylbenzimidazol-2-yl)pentane) copper(II) dichloride (tetEtBBIM)Cu(II)Cl2, 2, both of which, cocrystallize in an equal molar ratio with a nitromethane solvate molecule. The complex crystallized in the
monoclinic space group P21/c with a = 18.876(4) ?, b = 14.975(3) ?, c = 18.344(4) ?, β = 116.75(3)°, and V = 4630.3(16) ?3 with Z = 4. The cocrystallization of such discrete complexes has been coined a chemical Janus.
Graphical Abstract The title complexes contain pseudo-tetrahedral Cu(II)N2Cl2 coordination. One of the structures is the result of an unusual cocrystallization, in which two different discrete Cu(II)
molecules cocrystallize in an equimolar ratio with a nitromethane solvate molecule.
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4.
Abstract The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)2]·C2H5OH (1 · C2H5OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes
in monoclinic space group P21/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?3. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent
spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer
transition (LCCT) with π → π* property.
Index Abstract
A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized
by X-ray crystallography and fluorescent studies.
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5.
Xu Hao-Long 《Journal of chemical crystallography》2009,39(4):299-302
Abstract
One trinuclear di-n-butyltin(IV) complex with salicylaldoxime (o-HON=CHC6H4OH=HONZOH), (Bu2Sn)(Bu2SnO)(Bu2SnOH)(ONZOH)(ONZO), has been synthesized and characterized by elemental analyses, IR spectrum, and single crystal X-ray diffraction.
This complex is a small cluster displaying two unequivalent salicylaldoximate with one seven-coordinate pentagonal–bipyramidal
tin atom linked two five-coordinate trigonal–bipyramidal tin atoms via a network of oxygen atoms by Sn–O–Sn bridges. The hydrogen
bonds (o-HON=CHC6H4–O…H–O) are observed in the complex. These hydrogen bonds include intramolecular hydrogen bonds and intermolecular hydrogen
bonds. (Bu2Sn)(Bu2SnO)(Bu2SnOH)(ONZOH)(ONZO) belongs to monoclinic: space group P21/n, with a = 12.2307(15) ?, b = 17.361(2) ?, c = 20.976(3) ?, β = 94.424(2)°, V = 4440.5(10) ?3, Z = 4, D
c
= 1.500 g/cm3, μ(MoKα) = 1.715 mm−1, F(000) = 2024, and final R
1 = 0.0426, wR
2 = 0.1064 for observed reflections 7779(I > 2σ(I)).
Index abstract The title compound, di-n-butyltin(IV) complex with salicylaldoxime, was synthesized and its crystal structure determined. Single crystal X-ray diffraction
analysis reveals that the molecular structure of the title compound is trinuclear. The complex is a small cluster displaying
two unequivalent salicylaldoximate with one seven-coordinate pentagonal–bipyramidal tin atom linked two five-coordinate trigonal–bipyramidal
tin atoms via a network of oxygen atoms by Sn–O–Sn bridges.
相似文献
6.
Jin-Min Li 《Journal of chemical crystallography》2009,39(2):128-130
Abstract Hydrated zinc perchlorate reacted with sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone (L) in methanol solution and
resulted in the formation of a new binuclear complex: [Zn2(μ-N3)2(N3)2(L)2]. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray
crystallography and the complex crystallizes in the monoclinic system with space group P21/c and a = 11.409(2), b = 8.0733(15), c = 18.163(3) Ǻ, β = 99.095(3)°. In the complex two azide anions act as bridge ligand and another two azide anion and two 1-(1,10-phenanthrolin-2-yl)-2-pyridone
function as terminal ligands, and Zn(II) ion lies in a distorted triangle bipyramid geometry.
Index Abstract The title binuclear Zn(II) complex was synthesized by zinc perchlorate, sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone
and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that azide anion function as both
bridge ligand and terminal ligand, and 1-(1,10-phenanthrolin-2-yl)-2-pyridone only acts as a terminal ligand. 相似文献
7.
İzzet Amour Morkan Ayşe Uztetik Morkan Çiğdem Tuç Engin Kendi 《Journal of chemical crystallography》2008,38(7):541-545
Abstract Pentacarbonyl(4-methylpyridine)chromium(0) complex was isolated from n-hexane solution as yellow plate-like crystals and characterized by using X-ray crystallography. It crystallizes in the orthorhombic
system with the space group Cmcm and Z = 4. The unit cell parameters are a = 11.737(1) ?, b = 12.857(2) ?, c = 8.465(1) ?. The single crystal X-ray structure of the complex shows that the coordination sphere around the chromium central
atom is slightly distorted octahedron, involving the 4-methylpyridine (4-mp), ligand as a monodentate N-donor ligand and five
carbonyl groups. The four equatorial CO groups in the complex, with the Cr–C2 distance of 1.886 Ǻ, are slightly bent away
from the 4-methylpyridine ligand with the N–Cr–C2 angle of 91.69°. The pyridine ring plane makes an angle of 135.17° with
the Cr–N–CO bond axis. The thermal analysis (differential thermal analysis and thermal gravimetry) and IR spectra of the complex
indicated that the compound undergoes complete decomposition to form the Cr2O3 as the final decomposition product.
Index Abstract The crystal structure of pentacarbonyl(4-methylpyridine)chromium(0) complex has been determined and its thermal behavior has
also been studied.
相似文献
8.
Christoph E. Strasser William F. Gabrielli Oliver Schuster Stefan D. Nogai Stephanie Cronje Helgard G. Raubenheimer 《Journal of chemical crystallography》2009,39(7):478-483
Abstract Two crystal structures of tris(azolyl)phosphines, PR3 [R′ = 1-methylimidazol-2-yl (1) or R′′ = 4-methylthiazol-2-yl (2)], and the crystal structure of the sulfurisation product of 2, R′′3PS (3), were determined. All compounds crystallise in polar space groups, 1 in the orthorhombic space group Pna21 with cell parameters a = 13.9779(15) ?, b = 9.2492(10) ? and c = 10.2439(11) ?; 2 in the trigonal space group, R3c, with a = 15.2383(10) ? and c = 10.5882(13) ? and 3 in the orthorhombic space group, Cmc21, with a = 13.466(3) ?, b = 9.308(2) ? and c = 12.207(3) ?.
Graphical Abstract This article presents two crystal structures of tris(azolyl)phosphines and one of a tris(thiazolyl)phosphine sulfide, a compound
which show potential for wide application in coordination chemistry due to their multidentate nature.
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9.
Abstract The synthesis, characterization, and molecular structure of the title compound, [(1-benzylpyrazole)[N,N-bis(2-aminoethyl)-1,2-ethanediamine]copper(II)] diperchlorate, [(nbp)(tren)Cu(II)](ClO4)2, 2 · 2ClO4, is reported. The salt crystallized in the monoclinic space group P21/n with a = 10.1453(5) ?, b = 17.5250(8) ?, c = 13.6021(6) ?, β = 100.737(19)° and V = 2376.06(19) ?3 with Z = 4. The structure contains copper(II) (nbp)(tren) cations, each with a distorted-trigonal-bipyramidal CuN5 coordination geometry, separated by perchlorate anions. The cations exhibit steric strain associated primarily with close
contacts between the methylene protons of the nbp ligand and one of the amine groups of the tren ligand. The strain has a
noticeable effect on the coordination geometry and certain physical properties of the complex.
Graphical Abstract In the title structure, steric strain in the (nbp)(tren)Cu(II) cations, associated with close contacts between protons of
the nbp ligand and two of the amine groups of the tren ligand (dashed lines in the figure below) affects certain physical
properties of the cation and is consistent with an anomalously long Cu(II)–N(pyrazole) distance (Cu–N41) and an unusually
large axial–equatorial angle, N41–Cu–N12.
相似文献
10.
Zachary N. Pickett William A. Howard Christopher R. Graves 《Journal of chemical crystallography》2008,38(9):717-721
Abstract Two substituted pyridinium chloride salts, namely 4-chloro-2,6-bis(hydroxymethyl)pyridinium chloride (triclinic, P-1, a = 6.0651(8) ?, b = 8.4393(8) ?, c = 8.6554(9) ?, α = 78.845(1)°, β = 83.156(1)°, γ = 89.047(1)°; V = 431.55(8) ?3; Z = 2) and 4-dimethylamino-2,6-bis(hydroxymethyl)pyridinium chloride hemihydrate (orthorhombic, Aba2, a = 17.2179(14) ?, b = 17.6332(15) ?, c = 7.2068(6) ?; V = 2188.0(3) ?3; Z = 4), have been structurally characterized. Hydrogen bonding and van der Waals contacts are evident in both structures.
Furthermore, the 4-dimethylamino derivative features a trigonal planar dimethylamino group with some π interaction between
the nitrogen atom and the pyridine ring.
Graphical Abstract Two compounds, namely 4-chloro-2,6-bis(hydroxymethyl)pyridinium chloride and 4-dimethylamino-2,6-bis(hydroxymethyl)pyridinium chloride hemihydrate, have been spectroscopically and structurally characterized. 相似文献
11.
Jin-Min Li 《Journal of chemical crystallography》2009,39(2):143-146
Abstract Hydrated cadmium perchlorate reacted with sodium azide and 2,2′-bypyridine-3,3′-diol (H2L) in ethanol solution and resulted in the formation of a two-dimensional coordination polymer: [Cd(μ-N3)(μ-HL)(H2O)]n. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray
crystallography and the complex crystallizes in the monoclinic system with space group P21/c and a = 7.2849(14), b = 9.9568(19), c = 17.058(3) Ǻ, β = 102.254(2)°. In the complex both azide anion and monodepronated 2,2′-bypyridine-3,3′-diol anion (HL) act as bridge ligands
and led to the formation of a two-dimensional sheet structure on (100) plane, and the O–H⋯N hydrogen bond made the sheets
pile up along [100] direction, which forms a supramolecular three-dimensional structure.
Graphical Abstract The title two-dimensional Cd(II) coordination polymer was synthesized by cadmium perchlorate, sodium azide and 2,2′-bypyridine-3,3′-diol
and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that the two-dimensional coordination
polymer was fabricated with azide anion and monodeprotonated 2,2′-bypyridine-3,3′-diol as mixed bridge ligands.
相似文献
12.
Synthesis,Characterization and Crystal Structure Determination of a Hepta-coordinated Cadmium(II) Complex with Thiocyanato-bridges 总被引:1,自引:0,他引:1
Dongbin Dang Jide Sun Yan Bai Hui Gao Weili Shang 《Journal of chemical crystallography》2009,39(9):683-687
Abstract A new cadmium(II) complex [(C28H24N6)Cd(SCN)2]2(CH3OH)2 (1) has been synthesized and characterized by IR, UV spectra, TG-DTA technique and single crystal X-ray diffraction analysis.
The crystallographic data for compound 1: triclinic P1ˉ, a = 9.630(2) Å, b = 11.123(3) Å, c = 15.396(4) Å, α = 106.93(1)°, β = 91.60(1)°, γ = 99.99(1)°, V = 1,548.5(6) Å3, Z = 1, Dc = 1.512 mg/m3, F(000) = 716, R
1 = 0.0332, wR
2 = 0.0907. The molecule contains a symmetrical dinuclear unit in which two Cd(II) ions are double bridged by two di-μ-1,3-SCN− anoins with a cadmium–cadmium separation of 6.48 Å. Each Cd(II) ion is seven-coordinated with six nitrogen atoms and a sulfur
atom to form a monocapped trigonal prism coordination geometry. In addition, the molecule is further connected by multiform
intermolecular C–H···π, π···π interactions and hydrogen bonds to form a three-dimensional supramolecular structure.
Graphical Abstract A hepta-coordinated Cd(II) complex which exhibits a distorted a monocapped trigonal prism coordination geometry has been achieved
by using bisbidentate Schiff-base ligand and thiocyanate anion.
相似文献
13.
Hong-Kun Zhao Xiu-Guang Wang En-Cui Yang Xiao-Jun Zhao 《Journal of chemical crystallography》2008,38(8):625-629
Abstract The cobalt(II) complex, [Co(abz)2(SCN)2] 1, has been synthesized by the reaction of cobalt(II) nitrate with ammonium thiocyanate and abz ligands (abz = 2-aminobenzimidazole),
and was fully structurally characterized by elemental analysis, IR spectra, X-ray diffraction and thermogravimetric experiments.
It crystallizes in the triclinic P-1 space group with a = 8.6316(10), b = 9.3426(10), c = 13.254(2) ?, α = 95.793(2), β = 95.870(2), γ = 115.7380(10), V = 945.1(2) ?3, and Z = 2. The central cobalt(II) atom is four-coordinated to nitrogen donors from two neutral abz ligands and two isothiocyanate
anions respectively, adopting a slightly distorted tetrahedral geometry. In addition, the intermolecular N–H···N and N–H···S
hydrogen bonds interactions link the discrete mononuclear units into infinite three-dimensional networks.
Index Abstract The essence sentence of the paper: In the mixed-ligand mononuclear complex, [Co(abz)2(SCN)2], the four coordinated cobalt(II) atom exhibits a slightly distort tetrahedron, which is further assembled into 3D infinite
network by intermolecular hydrogen interactions.
相似文献
14.
Abstract The title compound, aquabis(5-methylisoazole-3-carboxylato-O,N)copper(II) monohydrate, [Cu(L2)(H2O)] · H2O is synthesized and characterized by X-ray diffraction, elementary analysis, and IR. The ligand coordinates to the copper
center in a bidentate O,N fashion through the carboxylic acid moiety and the heteroaromatic nitrogen atom. The complex crystallizes in the triclinic
space group with unit cell parameters a = 8.4080(12)?, b = 8.810(3), c = 10.318(2)?, α = 110.08(3)°, β = 104.81(2)°, γ = 103.149(16)°, V = 650.9(3)?3, Z = 2. In addition, the synthesis of the free acid 5-methylisoazole-3-carboxylic acid and pyridine containing complex bis(5-methylisoazole-3-carboxylato)bispyridinecopper(II)
monohydrate is described.
Index Abstract Synthesis and crystal structure of aquabis(5-methylisoazole-3-carboxylato-O,N)copper(II)monohydrate. The first coordination compound of 5-methylisoxazole-3-carboxylic acid.
相似文献
15.
Abstract The self-assembly and structural characterization of the new manganese(II) [MnL
2](ClO4)2(CH3OH)0.5 (1) complex has been achieved. The crystallographic data for the complex 1: Orthorhombic Pbca
,
a = 16.287(2) ?, b = 21.293(2)?, c = 32.718(3) ?, V = 11,347(2) ?3, Z = 8. The two polydentate ligands strand intertwined each other and around the manganese(II) ions forming a mononuclear complex.
The Mn(II) ion is eight-coordinated with the eight donor nitrogen atoms of two ligands to form a distorted square antiprismatic
coordination geometry. The magnetic properties investigation indicates that there is a weak antiferromagnetic exchange coupling
between the Mn(II) ions of the complex.
Index Abstract An octa-coordinated Mn(II) complex which exhibits a distorted square antiprismatic coordination geometry has been achieved
by using a bisbidentate Schiff-base
ligand.
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16.
17.
Wesley H. Monillas Glenn P. A. Yap Klaus H. Theopold 《Journal of chemical crystallography》2009,39(5):380-383
Abstract Addition of one equivalent of CrI2 to two equivalents of lithium cyclohexylamino-pent-2-en-4-onate results in bis[(cyclohexylamino)pent-2-en-4-onato]-chromium(II).
Crystallization in diethylether reaction solvent forms the hemi-etherate A with the asymmetric unit showing two target compounds and one molecule of cocrystallized diethylether in the P-1 space group with crystal cell parameters a = 12.931(4) Å, b = 13.207(4) Å, c = 16.104(5) Å, α = 66.559(5)°, β = 77.670(5)°, γ = 81.562(5)°, V = 2,459.1(14) Å3 and Z = 4. Drying A in vacuo and recrystallization in pentane yields a nonsolvated crystalline phase B with an asymmetric unit displaying only one molecule of the target compound in the P21/c space group with crystal cell parameters a = 14.290(7) Å, b = 14.082(7) Å, c = 11.246(6) Å, β = 94.807(8)°, V = 2,255.1(19) Å3 and Z = 4.
Graphical Abstract A Cr(II) complex supported by two β-enaminoketiminato ligands, bis[(cyclohexylamino)pent-2-en-4-onato]-chromium(II), has been
synthesized and has been structurally characterized in two different crystal phases.
相似文献
18.
Guang Ye Liu Hong Na Chen Fa Qian Liu Su Yi Huang Shao Xiang Li Wei Li 《Journal of chemical crystallography》2008,38(8):631-634
Abstract A new complex [Cu(NCS)4 (N-Eim)4] [Cu(NCS)2 (N-Eim)2] (where N-Eim = N-ethylimidazole) has been synthesized and structurally characterized by single-crystal X-ray diffraction.
The compound crystallizes in the Triclinic space group P−1 with the parameters: a = 8.7707(18) ?, b = 10.712(2) ?, c = 13.511(3) ?, α = 104.73(3)°, β = 104.84(3)°, γ = 102.52(3)°, V = 1131.54(3) ?3, with Z = 1 formula units. In the structure, the copper atoms all assume an elongated octahedral geometry with two distinct coordination
environments; one is coordinated by four N-ethyl-imidazole ligands and two axial SCN groups, and another by two SCN groups
and two N-ethyl-imidazole ligands. The two units form one infinite 1D zigzag chain along the [1 0 1] plane by two thiocyanate
ligands from the [Cu(NCS)4 (N-Eim)4] units.
Index Abstract The title compound, tetrakis(1-ethyl-1H-imidazole)diisothio cyanatocopper(II) bis(1-ethyl-1H-imidazole)diisothiocyanatocopper(II)
has been synthesized and structurally characterized by single-crystal X-ray diffraction. In the structure, the copper atoms
all assume an elongated octahedral geometry with two distinct coordination environments. The two units form one infinite 1D
zigzag chain along the [1 0 1] plane by two thiocyanate ligands from the [Cu(NCS)4 (N-Eim) 4] units.
相似文献
19.
Amitabha Datta 《Journal of chemical crystallography》2009,39(9):619-622
Abstract The copper(II) complex [Cu(C5H4NCH2−N=CH–C6H3OCH3–O)Cl], (1) containing a new tridentate Schiff base ligand (LH), which is the 1:1 condensation product of 2-(aminomethyl)pyridine and o-vaniline, has been synthesised and characterized by IR and UV–Vis spectra. Structural investigation shows that 1 crystallizes to a monoclinic system, having space group P2(1)/c, a = 6.9634(7), b = 18.1209(19), c = 10.3448(11) ?, α = 90°, β = 103.97(2)°, γ = 90° and Z = 4. The coordination geometry around the copper atom is slightly distorted square planar, formed by the N2O donor set of the Schiff base and one Cl atom. The Cu–N(1), Cu–N(2), Cu–O(1) and Cu–Cl bond distances are 2.0114(14), 1.9414(14),
1.9147(12) and 2.2520(5) ?, respectively.
Index Abstract The copper(II) complex [Cu(C5H4NCH2−N=CH–C6H3OCH3–O)Cl], (1) containing a tridentate Schiff base ligand (LH), synthesised and characterized by IR and UV–Vis spectra. The central copper
ion possesses a distorted square-planar geometry.
相似文献
20.
M. Brad Peori Keith Vaughan Valerio Bertolasi 《Journal of chemical crystallography》2009,39(3):178-181
Abstract The crystal structure of bis-(p-Ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis. The bis-aminal (1) molecule is V-shaped and situated on a twofold axis passing through C1 with the phenyl rings forming a dihedral angle of
70.2(1)°. The carboxylate and phenyl groups are coplanar. The crystal structure of 1 is compared with the structure of the closely related aminals, 2–5. Crystal data: 1 C19H22N2O4, tetragonal, space group I4
1
cd (N.110), a = 20.4760(7) Ǻ, b = 20.4760(7) Ǻ, c = 8.2984(3) ?, and V = 3477.7(2) ?3, for Ζ = 8.
Index Abstract The crystal structure of bis-(p-ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis.
相似文献