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1.
Abstract A new dinuclear hydrated nickel(II) tartrate has been isolated and structurally characterized by single-crystal X-ray diffraction.
The title compound formulated as [Ni4(C4H4O6)4(H2O)8](EtOH)0.5(H2O)10.25 (C17H55.5Ni4O42.75) crystallizes in monoclinic system, space group P2(1)/c with a = 13.684(5), b = 17.143(6), c = 18.586(6) ?, β = 96.638(6)°, V = 4331(3) ?3, Z = 4. The unit cell contains two crystallographic independent dimeric units of [Ni2(C4H4O6)2(H2O)4] without significant structural difference, half of menthol molecule and ten and a quarter packing water molecules. In each
dimeric unit, one (R,R)-tartrato dianion chelates two Ni(II) ions by the use of two hydroxy oxygen and two carboxyl oxygen atoms as donor atoms,
and another tartrato dianion chelates the same pair of Ni(II) cations in the same way. Each Ni(II) atom is six-coordinated
by six O atoms from two tartrate units and two water molecules.
Index Abstract The crystal structure of complex [Ni4(C4H4O6)4(H2O)8](EtOH)0.5(H2O)10.25 contains two crystallographic independent dimeric units of [Ni2(C4H4O6)2(H2O)4] without significant structural difference. In each dimeric unit, one (R,R)-tartrato dianion chelates two Ni(II) ions by the use of two hydroxy oxygen and two carboxyl oxygen atoms as donor atoms,
and another tartrato dianion chelates the same pair of Ni(II) cations in the same way.
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2.
Synthesis and Crystal Structure of [2-(4-chlorobenzoyloxy)-5-methylphenyl]-(4-methylphenyl)methanone
S. Naveen T. D. Venu S. Shashikanth M. A. Sridhar J. Shashidhara Prasad 《Journal of chemical crystallography》2007,37(12):787-791
[2-(4-Chlorobenzoyloxy)-5-methylphenyl]-(4-methylphenyl)methanone was synthesized and characterized by spectroscopic and X-ray diffraction methods. The molecule crystallizes in the monoclinic space group P21/c with cell parameters a = 13.7530(19) Å, b = 10.0560(19) Å, c = 13.469(3) Å, β = 100.630(7)° and Z = 4. There is a large discrepancy between the carbonyl group bond lengths of ketone and the ester. The structure exhibits intermolecular hydrogen bonds of the type C–H···O. 相似文献
3.
采用水热法设计并合成了一个新颖的超分子网络化合物[Mn(phen)_2I_2],并对其进行了元素分析,红外光谱分析和X-射线单晶衍射分析.结果表明:该化合物属三斜晶系, P_1~-空间群,晶胞参数为:a=0.92705(19) nm,b=1.0370(2) nm,c=1.2775(3) nm,α=77.32(3) °,β=81.26 (3) °,γ=70.30(3) °,V=1.1240(4) nm~3,Z= 2.该化合物通过四种C-H...I氢键相互作用与两种π-π堆积相互作用把各个独立的结构单元连接成了超分子网络化合物. 相似文献
4.
Abstract Ozagrel, (E)-3-[4-(1H-Imidiazol-1-ylmethyl)phenyl]-2-propenic acid, crystallizes with phosphoric acid from aqueous solution
to give the dihydrogen phosphate salt of ozagrel which crystallizes in the orthorhombic space group P212121 with a = 4.6901(14), b = 8.929(4), c = 34.558(13) ?, V = 1447.2(9) ?3, Z = 4, C13H15N2O6P, M
r
= 326.24, D
c
= 1.497 g/cm3. In the crystal structure, phosphate anions interact with ozagrel through two kinds of hydrogen bonds forming a 1D hydrogen-bonded
chain. Phosphate anions are hydrogen-bonded to each other through supramolecular synthon R33(12) forming a 1D double-chain structure which links ozagrel molecules into a 3D structure.
Index Abstract In crystal structure of the title compound, phosphate anions interact with ozagrel through two kinds of hydrogen bonds forming
a 1D hydrogen-bonded chain. Phosphate anions are hydrogen-bonded to each other through supramolecular synthon R33(12) forming a 1D double-chain structure which links ozagrel molecules into a 3D structure.
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5.
Eringathodi Suresh 《Journal of chemical crystallography》2009,39(2):104-107
Abstract The title compound, [Cu(C3H4N2)4(COO–(CH2)4–COOH)2] is a neutral complex and exist as a monomeric unit. The Cu atom occupies at the center of symmetry (0, 0.5, 0) with a distorted
octahedral geometry. Imidazole nitrogens N1 and N6 (Cu1–N1 = 1.993(3) ?; Cu1–N6 = 2.008(3) ?) from two different imidazole
group which are symmetrically disposed provides the square base and the long carboxylate oxygens (Cu1–O2 = 2.582(3) ?) from
the protonated end of symmetrically oriented dibasic acid at the trans axial position. The adipate monoanion is in weak coordination with the metal center via monodentate fashion. The strong carboxylate-carboxylic
acid intermolecular O–H…O interaction between the adjacent molecules is present in this structure as observed in the crystal
structure of hexanedioic acid is noteworthy. In addition to the O–H…O H-bonding other molecular interactions such as N–H…O
and C–H…O in packing generates a 3-D hydrogen bond network.
Graphical Abstract The title compound tetrakis imidazole Cu(II) diadipate is a neutral complex and exist as a monomeric unit with the metal atom
occupies at the center of symmetry. Strong inter and intramolecular H-bonding interactions such as O–H…O, N–H…O and C–H…O
in packing generates a 3-D hydrogen bond network. 相似文献
6.
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.
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7.
Abstract A new complex, [H3teta][Mo(CN)8] · H2O, (teta = 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetra-azacyocloteradeca-4,11-diene), has been synthesized and characterized
by IR spectrum, element analysis and single crystal X-ray diffraction: monoclinic, space group P2(1)/c with a = 10.8553(8) ?, b = 12.4854(8) ?, c = 22.6348(15) ?, α = 90.00°, β = 97.3080(10)°, γ = 90.00°, Mr = 609.63, v = 3042.8(4), Z = 4. There are one [H3teta]3+, one [Mo(CN)8]3− and one water molecule in the asymmetric unit. The complex is interconnected through hydrogen bond and formed into a 3D porous
network.
Graphical Abstract A new complex, [H3teta][Mo(CN)8] · H2O, has been synthesized and characterized by IR spectrum, element analysis and single crystal X-ray diffraction. And it shows
a 3D porous network through hydrogen bonds.
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8.
合成了螺旋配合物C38H29AgF6N6O0.5P并进行了元素分析、红外光谱表征和单晶X射线衍射分析.配合物为单螺旋结构,Ag(I)原子呈现扭曲的四方锥配位构型.晶体中螺旋体芳环间存在的π…π和C-H…π作用使其形成具有一维通道的三维网状结构,通道内填充有PF6-离子和结晶水分子.该晶体属于单斜晶系Cc空间群,晶胞参数分别为:α=1.7823(7)nm,b=3.1382(14)nm,c=0.8407(4)nm,β=116.492(9)°,V=4.209(3)nm3,Z=4,Mr=830.51,dc=1.311 g·cm3,T=293(2)K,μ=0.577 mm-1,F(000)=1676,R1=0.0766,wR2=0.1731[I2σ(I)]. 相似文献
9.
Rui-Xiang Hu Ling Huang Hong Liang Kai-Bei Yu 《Journal of chemical crystallography》2007,37(8):523-526
The crystal structure of the compound (C5H7N2O)·(C6H4NO3)·H2O (1) consisting of 2-amino-3-hydroxypyridium, isoniconate-N-oxide and lattice water was characterized by single-crystal X-ray diffraction analysis: monoclinic, P21/c, a = 9.6905(8), b = 6.0040(4), c = 21.039(2) Å, β = 101.062(8)°, V = 1201.34(18) Å3, Z = 4. In 1, the deprotonated isoniconate-N-oxide, the protonated 2-amino-3-hydroxypyridium and the lattice water are linked by a series of classical hydrogen bonds to form 2-D layer. Then, these 2-D sheets assemble to a 3-D network via weak hydrogen bonds. 相似文献
10.
Feng-Ying Dong Yan-Tuan Li Zhi-Yong Wu Jian-Min Dou Da-Qi Wang 《Journal of chemical crystallography》2007,37(7):445-449
An oxamido-bridged binuclear copper(II) complex, Cu2(oxen)(NCS)2(DMF)2 (1) (H2oxen = N,N′-bis(2-aminoethyl)oxamide, DMF = dimethylformamide), has been synthesized by the reaction of Cu(oxen) · 2H2O with CuCl2 · 2H2O and KSCN in DMF/CH3OH solution, and characterized by elementary analysis, FT-IR spectra and X-ray single-crystal diffraction. Structural analysis reveals that complex 1 forms a centrosymmetric binuclear molecule in which an oxamido group in the trans conformation bridges two crystallographically equivalent five-coordinate copper(II) ions with Cu–Cu distance of 5.279(2) Å. The complex molecules are assembled into a novel 2D layer through weak Cu?S interactions (d Cu–S = 3.341(4) Å) and intermolecular hydrogen bonds. Viewed along the crystallographic b axis, layers display an interesting hydrophobic–hydrophilic–hydrophobic sandwich arrangement, with the hydrophobic layers dominated by dipole interaction of DMF molecules. 相似文献
11.
Kusum Bania Nilotpal Barooah Rupam Sarma Jubaraj Bikash Baruah 《Journal of chemical crystallography》2008,38(1):57-60
Abstract The crystal structure of a metallohybrid carboxylic acid obtained from the reaction of 1,3,5-benzenetricarboxylic acid (TCAH3)
with copper(II)acetate monohydrate in the presence of pyridine (py) having composition Cu(py)2(TCAH2)2(H2O)2 [1] is reported. It crystallizes in triclinic space group P-1 and with a = 7.0110(3)?, b = 8.9523(5)?, c = 11.5370(5) ?,
α = 79.776(3) °, β = 82.881(3)°, γ = 83.628(3)°, and V = 704.18(6)?3. The hydrogen bond in 1 is compared with the hydrogen bond pattern in the structure of 1,3-dicarbomethoxy 4,6-benzenedicarboxylic
acid, which crystallizes in mononclinic space group P21/c and has unit cell parameters of a = 6.9549(16)?, b = 8.7676(15)?,
c = 20.111(4)?; β = 92.585(17) ° and V = 1225.1(4) ?3.
Index Abstract Crystal structure of a metallohybrid carboxylic acid obtained from the reaction of 1,3,5-benzenetricarboxylic acid with copper(II)acetate
monohydrate in the presence of pyridine is determined and compared with hydrogen bond pattern present in the structure of
1,3-dicarbomethoxy 4,6-benzenedicarboxylic acid.
Crystal structure of a metallohybrid acid of 1,3,5-benzenetricarboxylic acid of copper(II).
Kusum Bania, Nilotpal Barooah, Rupam Sarma, Jubaraj B. Baruah 相似文献
12.
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.
相似文献
13.
Ki-Young Choi 《Journal of chemical crystallography》2008,38(1):53-56
Abstract The tridentate Schiff base carboxylate-containing ligand 2-pyridylmethylamino-3-butyric acid (Hpaba) reacts with copper(II)
perchlorate to give the one-dimensional chain complex {[Cu(μ-paba)](ClO4)·H2O}
n
(1). The coordination geometry of each copper(II) ion is best described as a square-plane with two nitrogen atoms and one carboxylate
oxygen atom of the ligand, and one carboxylate oxygen atom belong to another ligand. It crystallizes in the monoclinic system
P21/c with a = 12.717(2), b = 7.9163(15), c = 14.981(2) ?, β = 111.14(1)°, V = 1406.8(4) ?3, Z = 4. Cyclic voltammogram of 1 undergoes the reversible one-electron oxidation to the Cu(III) and the reversible one-electron reduction to the Cu(I) state.
Graphical Abstract Crystal structure of 1 reveals a syn-anti carboxylate-bridged one dimensional chain complex in which the coordination environment around each copper(II) ion exhibits
a distorted square plane.
相似文献
14.
15.
Franz Dornhaus Hans-Wolfram Lerner Michael Bolte 《Journal of chemical crystallography》2009,39(5):326-328
Abstract The crystal structure of the title compound, [2Cs+(C12H24O6)2(CHO2
−)2(H2O)2], was determined by an X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21
/n with cell parameters a = 10.4278(7) ?, b = 10.0183(5) ?, c = 18.2383(12) ?, β = 93.723(5)°, V = 1910.3(2) ?3 and Z = 2. The Cs cations are bonded to each of the six O atoms of a crown ether ring, two water molecules, and one O atom of a
formato anion. As a result of that, a centrosymmetric dimeric dinuclear complex is formed. The two halves of the dimer are
connected by a ring of formato anions and water molecules which are linked by O–H···O hydrogen bonds.
Index Abstract The title compound, bis(18-crown-6)-bis(formato-O), caesium dihydrate, features a centrosymmetric dimeric dinuclear complex
where two Cs cations are coordinated by six O atoms of a crown ether ring. The two halves of this complex are held together
by a ring of formato anions and water molecules which are linked by hydrogen bonds.
相似文献
16.
Zeng Huaqiang Yang Min Huang Xiaoying Chen Xueyuan 《Crystal Research and Technology》1997,32(3):467-473
The title compound has been synthesized and its crystals structure determined at room temperature. MW = 536.01, monoclinic, space group C2/c, Z = 4, a = 22.193(5) Å, b = 8.038(2) Å, c = 15.699(4) Å, β = 119.64(2)°. The crystal structure consists of repeated [Cu(Him)4(H2O)2] (Him = imidazole) cations and non-coordinated terephthalato dianions. The copper(II) ion displays an elongated octahedral coordination being linked to the four nitrogen atoms of the four imidazole ligands and to the two oxygen atoms of the two water molecules. The terephthalato dianions are hydrogen bonded to the four water molecules and four imidazole groups. 相似文献
17.
Xia Yin Jin-Niu Tang Gang-Hong Pan Wei-Man Tian Wen-Jia Xu Zhong-Jing Huang 《Molecular Crystals and Liquid Crystals》2014,593(1):179-186
A novel metal-organic supramolecular complex [Zn2 (Zaltoprofen)2(phen)2] (where Zaltoprofen = 5-(1-carboxyethyl)-2-(phenylthio)phenylacetic acid, phen = 1,10-phenanthroline) has been synthesized under hydrothermal condition and characterized by single crystal X-ray diffraction, elemental analysis, spectral method (IR), powder X-ray diffraction (XRD), electronic Spectra (UV-vis), and fluorescent properties. The compound crystallizes in the monoclinic P2(1)/c space group. [Zn2(Zaltoprofen)2(phen)2] features 0-D structural, the π–π stacking interactions and C?H···O hydrogen-bonds play a vital role in determining the crystal packing and construction of the extended 3-D supramolecular network. 相似文献
18.
The complex of [Cd (C5H6O4) (CH4N2S)2]n ( I ) has been synthesized and its X‐ray crystal structure determined at room temperature, M = 394.74, monoclinic, space group Pc (No. 7), with lattice parameters a = 7.683(3), b = 11.566, c = 16.00(1) Å, β = 100.32 (4)°, and Z = 4. There are two different Cd sites in this complex. Cd (1) coordinates to four oxygen atoms from Glutaric anion and two sulfide atoms from thiourea. Cd (2) coordinates to three oxygen and two sulfide atoms. The Cd atoms are linked by glutaric anion to form one‐dimensional chains. The adjacent chains are held together by hydrogen bonds to form a three dimensional network. 相似文献
19.
The crystalline salt of piperazine-1,4-diium (DL-)hydrogen malate (1:2), (C4H12N2)2+ (C4H5O5)2–, has been prepared and characterized by X-ray crystallography. The title salt crystallizes in monoclinic space group P21/n with a = 7.073(1), b = 14.180(2), c = 7.526(1) Å, = 94.66(1), V = 752.33(18) Å3 and Z = 2. Results indicate that the title salt exists as a racemic compound but a conglomerate. In the structure, axial and equatorial hydrogen atoms of piperiaine-1,4-diium are all involved in different bifurcated hydrogen bonds. The integral structure, formed by the hard hydrogen bonds of N–HsO and O–HsO, is stabilized further by soft hydrogen bond of C–HsO. 相似文献
20.
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.
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