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1.
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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2.
Juahir Yusnita Subramaniam Puvaneswary Mahmood Ameen Abdulla Ward T. Robinson Hapipah Mohd Ali 《Journal of chemical crystallography》2009,39(9):615-618
Abstract 2,6-Diacetylpyridinebis(benzenesulfonylhydrazide) (2,6-DAPBSH) and its zinc(II) complex have been synthesized and characterized
by X-ray crystallography. The ligand crystallizes in the monoclinic crystal system, space group Cc, with cell parameter = 16.808(2) Ǻ, b = 16.328(2) Ǻ, c = 8.2670(11) Ǻ, β = 91.869(9)°, while the zinc(II) complex crystallizes in the orthorhombic crystal system, space group Pbcn, with cell parameters a = 14.5927(3) Ǻ, b = 9.6502(2) Ǻ, c = 20.5610(5) Ǻ. The metal center is seven-coordinate, with an approximate pentagonal bipyramidal configuration of the chelating
ligand and two apically coordinated DMSO molecules.
Graphical Abstract X-ray crystallographic study on the [2,6-diacetylpyridine—bis(benzenesulfonylhydrazonato-κ5
N′N′′N′′′O′O′′)]bis(dimethyl sulfoxide-κO)zinc(II) (Fig. 1) shows that the complex is a seven-coordinate, with an approximate pentagonal
bipyramidal configuration where the ligand coordinates to the zinc(II) ion as a pentadentate chelate via the pyridine nitrogen
atom, the two azomethine nitrogen atoms and the two sulfonyl oxygen atoms.
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3.
Abstract Crystallization of tetraethylammonium chlorochromate (C2H5)4N[CrO3Cl], TEACC, with desirable particle size as a performance characteristic was used to illustrate the design procedure. Taguchi
design of experiments (DOE) method has been used for to plan a minimum number of experiments and optimization of crystallization
processes. Four factors, which influence the crystal size, crystal growth and nucleation, were chosen. These factors are concentration,
temperature, type of solvent and method of crystallization. After optimization the results show that concentration is most
effective factor that has largest percent of contribution 53.26% and type of solvent is least effective factor that has smallest
percent of contribution 4.33%. The optimum conditions are vapor diffusion as method, 0.043 g/15 mL for concentration, 0 °C
for temperature and acetonitrile as solvent. These conditions must be produced suitable crystals for single crystal X-ray
diffraction experiment. These results confirmed by experimental data and the crystals of the optimum conditions found to have
suitable properties for single crystal X-ray diffraction. These crystals had sent for single crystal X-ray diffraction and
diffraction data gathered successfully. A red block crystal was mounted on a glass fiber. The X-ray data determined monoclinic
system, space group C2(#5), with a = 12.023(3), b = 7.998(2), c = 14.527(4) ?, β = 114.187(4)°, V = 1274.4(6) ?3 and Z = 4.
Index Abstract The Taguchi design of experiments (DOE) method has been used for to plan a minimum number of experiments and optimization
of crystallization processes.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
4.
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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5.
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
6.
Hua Cao Hong-Bin Zhao Fu-Hui Zhou Jie-Pin Liu Yan-Li Liu 《Journal of chemical crystallography》2009,39(1):51-54
Abstract The crystal structure of the title compound, C64H70N4O4, has been determined by single crystal X-ray diffraction methods. The title compound crystallizes in the monoclinic space
group P2(1)/c with cell dimensions a = 13.8946(3) ?, b = 16.1069(3) ?, c = 12.1974(2) ?, β = 93.4050(10)°, Z = 2. The porphyrin core to be composed of four pyrrole rings linked through methane carbon bridges. Each molecule lies across
a crystallographic inversion center. The porphyrin core is planar, which facilitates π-electron delocalization. The inner
nitrogen H atoms are found localized on opposite pyrrole rings and these rings differ structurally from the other two pyrrole
rings. The imino H atoms form bifurcated intramolecular hydrogen bonds with the adjacent unprotonated N atoms due to the contract
porphyrin core.
Graphical Abstract The crystal structure of meso-tetrakis[4-(pentyloxy)phenyl]porphyrin is reported in this paper.
相似文献
7.
Shun-Liu Deng Sa Li Rong-Bin Huang Lan-Sun Zheng 《Journal of chemical crystallography》2008,38(9):679-683
Abstract The title compound was prepared from the reaction of perchloroacenaphthylene with an excess of sodium salt of 4-methyloxythiophenol
in toluene/ethanol (1:1) solvent and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes
in the Monoclinic space group P2(1) with the parameters: a = 10.351(1) ?, b = 20.453(3) ?, c = 12.1837(16) ?, β = 105.584(3)°, V = 2484.5(6) ?3, with Z = 2 formula units.
Graphical Abstract
The title compound 4,7-dichloro-1,2,3,5,6,8-hexakis-(4-methoxy-phenylsulfanyl)-acenaphthylene was synthesized from perchloroacenaphthylene C
12
Cl
8
with an excess of 4-methoxybenzene thiolate in toluene/ethanol (1:1)
. 相似文献
8.
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
9.
Azizollah Habibi Mohammad R. Yazdanbakhsh Leyla Mousavifar 《Journal of chemical crystallography》2008,38(9):701-704
Abstract The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been determined. The title compound crystallized in the orthorhombic space group pbca with cell parameters, a = 10.6556(6) ?, b = 18.0132(11) ?, c = 19.5513(12) ?, v = 3752.7(4) ?3, Z = 8, D
cal = 1.269 Mg/m3 at T = 120 K. The structure refined by full-matrix least-squares procedures to find R
1 = 0.0463 and wR
2 = 0.0937 for 3059 reflections. The soxazole ring isn’t coplanar with the phenyl ring.
Index Abstract The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been studied.
相似文献
10.
Abstract 3-Acetylaconitine (1), C36H49NO12, was isolated from the ammonium hydroxide wetted root of A. szechenyianum Gay. X-ray diffraction analysis demonstrated that it consists of four-six-membered rings A, B, C, D and two-five-membered
rings E, F. The fused-ring system A, B, C and D are in chair, chair, chair and boat conformations, respectively; ring E is
in a half-chair; and ring F is in an envelope confirmation. The crystal of 3-acetylaconitine is in orthorhombic crystal system
with space group P212121, lattice constants: a = 9.2002(8) ?, b = 11.06454(9) ?, and c = 33.072(3) ?, V = 3543.3(5) ?3, Z = 4.
Index Abstract 3-Acetylaconitine, C36H49NO12, was isolated from the ammonium hydroxide wetted root of A. szechenyianum Gay, and its crystal and molecular structure was determined by X-ray diffraction analysis.
相似文献
11.
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.
相似文献
12.
Li Zhang Lang Liu Guan-Cheng Xu Dian-Zeng Jia 《Journal of chemical crystallography》2008,38(11):837-843
Abstract
N-(1,3-Diphenyl-4-benzal-5-pyrazolone)-salicylidene hydrazone(H2L
1
) and its zinc complex Zn(HL
1
)2 · 2CH3OH (1) have been synthesized and characterized by elemental analyses, IR spectra, thermal analyses and single-crystal X-ray diffraction
studies. The X-ray diffraction analyses of the complex Zn(HL
1
)2 · 2CH3OH (1) and the known compound Zn4(L
2
)4 (2) (H2L
2
= N-(1,3-diphenyl-4-phenylethylene-5-pyrazolone)-salicylidene hydrazone) show that different acyl groups in position 4 of pyrazolones
may lead to the different coordination mode of the ligands and distinctive structures of the same central metal Zn(II) complexes,
of which 1 is a mononuclear complex while 2 is a tetranuclear complex. Meanwhile, two Zn(II) complexes have different thermal stabilities and fluorescence properties.
Graphical Abstract
相似文献
13.
Wan-Ju Zhang Yan-Tuan Li Zhi-Yong Wu Zhi-Qiang Liu Zhi-Chao Zheng 《Journal of chemical crystallography》2008,38(9):655-658
Abstract A mixed-ligand complex Cu(IDA)(NBZIM)(H2O) (IDA = iminodiacetate dianion, NBZIM = 6-nitro-1H-benzimidazole) has been synthesized and characterized by elementary analysis,
IR, UV-Vis, molar conductivity and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group
P
with a = 6.9423(14), b = 9.3100(19), c = 11.754(2) ?, α = 69.61(3), β = 85.87(3), γ = 83.87(3)°, Z = 2, R
1 = 0.0463 and ωR
2 = 0.0987. The single crystal X-ray analysis reveals that the Cu(II) atom is coordinated by one tridentate iminodiacetate
dianion, one monodentate nitrobenzimidazole molecule and one water molecule, in a distorted square base pyramidal coordination
geometry. The iminodiacetate dianion chelates the Cu(II) atom in the meridional mode. A three-dimensional network is formed
by hydrogen bonds and stabilized by NBZIM π-π stacking interactions. The interaction of the complex with Fish sperm DNA has
also been studied using absorption spectra.
Index Abstract In the crystal of Cu(IDA)(NBZIM)(H2O), each molecule is linked to other six neighbouring ones by ‘eight’ hydrogen bonds in four cases by means of the ‘symmetry
related’ linkage.
相似文献
14.
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
15.
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
16.
Chun-nian Xia Wei-xiao Hu Wei Zhou Guo-hong Wang 《Journal of chemical crystallography》2008,38(8):583-586
Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation of protocatechualdehyde with monoheptyl-malonate and recrystallized from
benzene, was confirmed by single-crystal X-ray diffraction (CCDC 272827). The compound crystallizes in triclinic space group
Pī with cell parameters a = 5.296(3) ?, b = 10.711(13) ?, c = 13.870(4) ?, α = 98.84(7)°, β = 90.97(4)°, γ = 96.77(7)° and
Z = 2. The structure is the E isomer and its packing is stabilized by intermolecular O–H···O and C–H···O hydrogen bonds.
Index Abstract The title compound, C16H22O4, synthesized by modified Knoevenagel condensation, was confirmed by single-crystal X-ray diffraction showing its structure
is in E isomer and its packing is stabilized by hydrogen bonds.
相似文献
17.
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
18.
Daniel J. Williams Daniel Gulla Kimberly A. Arrowood Lindsey M. Bloodworth Angela L. Carmack Taylor J. Evers Mark S. Wilson Javier J. Concepcion Carol A. S. Brevett Benjamin E. Huck Donald VanDerveer 《Journal of chemical crystallography》2009,39(8):581-584
Abstract A new compound, [Cd(mipit)4][PF6]2 has been synthesized and characterized via standard solid and solution state methods including single crystal X-ray crystallography
(mipit = 1-methyl-3-(2-propyl)-2(3H)-imidazolethione). The title compound crystallizes in tetragonal space group I4
1
/a with a = 12.478(2) ?, b = 12.478(2) ?, c = 28.806(6) ?, and Z = 4. The complex is a high melting, colorless solid that has a distorted tetrahedral CdS4 coordination geometry. Thermogravimetric analysis results for the title compound as well as for another potential CdS synthon
and two potential CdSe synthons are reported.
Graphical Abstract The synthesis and characterization of the title compound, a new ionic homoleptic cadmium complex, tetrakis[1-methyl-3-(2-propyl)-2(3H)-imidazolethione]cadmium(II)
hexafluorophosphate is reported. The results of a single crystal X-ray diffraction analysis reveal a distorted tetrahedral
CdS4 coordination sphere about the cadmium.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
19.
Xin Yang Jiang Li Yawei Hou Shenyi Shi Yongkui Shan 《Journal of chemical crystallography》2009,39(2):117-121
Abstract The 3D supramolecular complex, (C12H14N2)[Fe(II)2(C2O4)(OH2)8] · 2(SO4)2−, is monoclinic, P21/n, with the following cell parameters: a = 8.0413(16) ?, b = 17.272(4) ?, c = 9.806(2) ?, β = 106.25(3)°, V = 1307.6(5) ?3, Z = 2, R
1 = 0.0344, and wR
2 = 0.0763. X-ray crystallography revealed that the structure can be regarded as a hydrogen-bonded tunnel-like supramolecule
with the methylviologen lying in the tunnel as the charge compensating cation. The multiple intermolecular hydrogen bonds
between the octaaquaoxalatodiiron cations and the isolated sulfate ions link the supramolecular complex into a quasi-three-dimensional
open-framework structure.
Graphical Abstract Crystal Structure of the Tunnel-like Supramolecular Complex: Methylviologen(2+) Octaaquaoxalatodiiron(II) Disulfate
Xin Yang, Jiang Li, Shenyi Shi, Yawei Hou and Yongkui Shan
A hydrogen-bonded tunnel-like supramolecular structure with the methylviologen lying in the tunnel as the charge compensating
cation has been synthesized for the first time.
相似文献
20.
Xiu-rong Li Zhi-hui Zhang Xiu-feng Liu Hong Gao Xiang-nan Zhang Zhi-jin Fan 《Journal of chemical crystallography》2008,38(10):781-786
Abstract Two new complexes, [Cu(L)2(CH3OH)] · (ClO4)2 (1) and [Cu(L)2(H2O)] · (NO3)2 (2), have been synthesized and their crystal structures have been determined by X-ray analysis, where L = 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine].
The complex 1 crystallizes in the monoclinic, space group C2/c, and the coordination configuration of copper (II) is better described as trigonal pyramidal geometry with four N atoms from
L and one Omethanol. The coordination configuration of 2 is quite similar to that of 1 except Owater instead of Omethanol. The intermolecular hydrogen bonds link the repeat units and extend the molecules to multinuclear structures in both compounds.
The spectral properties of the title compounds have been studied and discussed. Furthermore, the antibacterial activities
of the title compounds have been detected, the results indicate that the ligands and two copper(II) complexes exhibit certain
fungicidal activities again several bacteria.
Index Abstract Two new complexes, [Cu(L)2(CH3OH)]·(ClO4)2 (1) and [Cu(L)2(H2O)]·(NO3)2 (2), have been synthesized and their crystal structures
have been determined by X-ray analysis, where L= 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine. The intermolecular hydrogen
bonds extend the molecules to multinuclear structures in both compounds.
相似文献