共查询到20条相似文献,搜索用时 46 毫秒
1.
Abstract The crystal structures of [Cu(py)4(ClO4)](ClO4) (1), [V(pic)2(OH)](NO3)2 · H2O (2) and [Ni(H2O)6][Ni(dpa)2] · 2H2O (3) [py = Pyridine, picH = Pyridine-2-carboxylic acid, dpaH2 = Pyridine-2,6-dicarboxylic acid] was determined by single-crystal X-ray diffraction techniques. Solid-state structural analysis
shows that all these complexes from extensive 3D network structure via supramolecular self-assembly. The crystal structures
are stabilized by extended hydrogen bonding interactions. The complex 2 forms orange V2O5 micro spheroids when heated at ~400 °C for 6 h.
Graphical Abstract Hierarchical supramolecular self-assembly of transition metal complexes of pyridine based ligands in crystal.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
2.
Duo-Zhi Wang Jian-Rong Li Lei Li Xian-He Bu 《Journal of chemical crystallography》2008,38(12):931-936
Abstract Two metal complexes of 1H-triazo-4,5-f-1,10-phenanthroline (HL), CoL(SO4)0.5 · 4H2O (1) and MnL
2 · 2H2O (2) have been synthesized on hydrothermal conditions and characterized by elemental analysis, IR spectroscopy and single-crystal
X-ray diffraction analysis. Complex 1 was further assembled into a three-dimensional (3D) supramolecular network through the hydrogen-bonding interactions and
inter-molecular π···π stacking interaction, 2 further assembled into a two-dimensional (2D) layer structure. This result shows that hydrogen-bonding interactions and π···π
stacking interaction play important roles in the formation of coordination networks, especially in the aspect of linking the
multinuclear discrete subunits or low-dimensional entities into high-dimensional supramolecular frameworks.
Index abstract Two metal complexes of 1H-triazo-4,5-f-1,10-phenanthroline (HL), CoL(SO4)0.5 · 4H2O (1) and MnL2 · 2H2O (2) have been synthesized on hydrothermal conditions. Complex 1 was further assembled into a three-dimensional (3D) supramolecular network through the hydrogen-bonding interactions and
inter-molecular π···π stacking interaction, 2 further assembled into a two-dimensional (2D) layer structure.
相似文献
3.
Abstract Reaction between p-aminobenzoic acid (HpABA) and Cu(NO3)2 · 2.5H2O in basic MeOH/DMF affords green crystals of the dicopper paddlewheel complex, Cu2(pABA)4(DMF)2 · 2DMF, 1, identified by single crystal X-ray crystallography: triclinic P-1, with a = 10.3728(2) ?, b = 10.617(2) ?, c = 11.128(2) ?, α = 81.705(3)°, β = 79.984(2)°, γ = 65.965(2)° and Z = 2. The crystal structure of 1 reveals that it is the second polymorph of Cu2(pABA)4(DMF)2 · 2DMF and experiments on the stability of 1 indicate that it can be converted to Form I through desolvation followed by exposure to DMF.
Graphical Abstract Crystal structure of a polymorphic discrete dicoppertetracarboxylate is investigated for the conversion between the two forms
influenced by hydrogen bonds.
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4.
Chun-Hua Ge Xiao-Yan Zhang Fang Yu Ya-Nan Guo Xiang-Dong Zhang Qi-Tao Liu 《Journal of chemical crystallography》2008,38(7):501-505
Abstract Syntheses and X-ray structural characterizations of two new complexes [Ni(imi)6](pfbz)2 (1) and Cu(imi)2(pfbz)2 (2) (imi = imidazole, pfbz = pentafluorobenzoate) are reported. The first complex crystallizes in the triclinic space group
P-1 with the crystal cell parameters a = 9.180(2) ?, b = 9.742(3) ?, c = 11.466(3) ?, α = 76.947(18)°, β = 80.629(18)°, γ = 78.043(19)°, V = 970.0(4) ?3 and Z = 1. The second complex crystallizes in the triclinic space group P-1 with the crystal cell parameters a = 7.3250(12) ?, b = 7.6685(10) ?, c = 10.888(4) ?, α = 92.80(2)°, β = 101.92(2)°, γ = 115.038(12)°, V = 535.7(2) ?3 and Z = 1. Examination of the structures shows that both complexes form three-dimensional hydrogen bonded networks in which C–H···F
hydrogen bonds play significant roles.
Index Abstract
C–H···F Hydrogen-Bonded Assembly of Ni(II) and Cu(II) Complexes Generate 3D Supramolecular Frameworks
Chun-Hua Ge, Xiao-Yan Zhang, Fang Yu, Ya-Nan Guo, Xiang-Dong Zhang* and Qi-Tao Liu
C–H···F interactions link simple complexes to form intricate three-dimensional supramolecular networks.
相似文献
5.
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
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6.
Abstract A novel aromatic polycarboxylate polymer, [Zn2(bipy)2(btec)(H2O)2]n (1), has been synthesized and structurally characterized by the single crystal X-ray diffraction. Compound 1 belongs to the triclinic crystal system, space group P-1; a = 7.7449(6) ?, b = 8.9286(8) ?, c = 10.7422(8) ?, α = 80.95(1)°, β = 70.21(1)°, γ = 78.14(1)°, V = 680.93(10) ?3, Z = 2. The coordination geometry of Zn(II) atom is distorted trigonal bipyramidal with two nitrogen atoms of one 2,2′-bipy
group, two oxygen atoms from two different btec ligands, and one water. The 16-membered rings are alternately arranged forming
an infinite 1-D double-chain structure. A 3-D network was constructed by interlayer C···H–O, O···H–O hydrogen bonds and π–π
stacking interactions. Compound 1 exhibits fluorescence at room temperature in the solid state.
Graphical Abstract A 1-D double-chain aromatic polycarboxylate polymer, [Zn2(bipy)2(btec)(H2O)2]n (1), has been synthesized and structurally characterized by the single crystal X-ray diffraction. A 3-D network was constructed
by intermolecular C···H–O, O···H–O hydrogen bonds and π–π stacking interactions. Compound 1 exhibits fluorescence at room temperature in the solid state.
相似文献
7.
Abstract Cu(urea)2(H2O)3(NO3).(urea)(NO3) (1) and Zn(urea)4(H2O)2·2(NO3) (2) have been obtained from the corresponding metal nitrates and urea in warm aqueous solvent. These are unusual examples of
complexes of transition metals coordinated only by urea and water. 1 crystallizes in the monoclinic space group P21/m with unit cell parameters a = 9.489(3), b = 13.059(3), c = 7.103(2) ? and β = 100.28(3)°. The copper ion occupies a 2e position on a mirror plane and displays four short Cu–O bonds (2 × Cu–OH2 and 2 × Cu–O=C(NH2)2) and two much longer contacts (Cu–OH2 and Cu–ONO2) consistent with a Jahn–Teller distortion. Between the cations are located unbound urea and nitrate. 2 crystallizes in the monoclinic space group P21/n with a = 6.4239(11), b = 17.690(4), c = 7.5877(13) ? and β = 91.138(14)°. The zinc ion resides on the 2a position, an inversion centre, and displays pseudo–octahedral coordination geometry. It is coordinated by four equatorial
urea and two axial water molecules. The four molecules of urea are nearly planar and form N–H···O intramolecular hydrogen
bonds. Unbound charge-balancing nitrate is also present. In each compound there is extensive intermolecular hydrogen bonding
between the water, urea, and nitrate present. Pyrolysis of the compounds under 10% hydrogen in nitrogen at 300 °C was found
to yield metallic copper in the case of 1 and zinc oxide for 2.
Graphical Abstract The structures of two new metal urea nitrates have been determined at low temperature
相似文献
8.
Abstract A single crystal structure determination of the complexes (2,2′-bipyridinium)[MBr4], M = Zn, Hg and Co, have been carried out. It crystallizes in the monoclinic space group P21
/c. The structures consist of alternating stacks of anions and cations. They demonstrate a supramolecularity represented by
the inter anion···cation, N–H···Br and C–H···Br interactions. The N–H···Br hydrogen bonding interactions, ca. 3.306(3)–3.213(7) ?
and with angles spanning the range 154–156°, tying the MBr4 anions to the cations. Intra- and interstack anion···anion interactions represented by Br···Br interactions, also exist.
All these interactions lead to a 3D-network.
Index Abstract
相似文献
9.
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
10.
Chomchai Suksai Chaveng Pakawatchai Thawatchai Tuntulani 《Journal of chemical crystallography》2009,39(5):348-352
Abstract The crystal structures of pyridine containing thiourea moieties as substituents, (1) and (2), have been determined. The ortho-substituted pyridine (1) crystallized in monoclinic space group P21/c with a = 16.091(3) ?, b = 11.368(2) ?, c = 7.4364(14) ?, β = 100.489(4)o, V = 1337.5(4) ?3, z = 4. In this structure an intramolecular N–H···N hydrogen bond forms a pseudo-seven-membered ring. The meta-substituted pyridine (2) crystallized in monoclinic space group P21/c with a = 14.5408(15) ?, b = 8.8508(9) ?, c = 10.7959(11) ?, β = 106.435(2)o, V = 1332.6(2) ?3, z = 4. Crystal packing revealed that compounds (1) and (2) can form dimeric structures via intermolecular H-bonding using N–H···S and N–H···N interactions, respectively.
Graphical Abstract Varying the substituent position on the pyridine ring using thiourea moieties gave unique molecular aggregations in solid
state structures.
相似文献
11.
Abstract The molecular structure of [Cu2(MeCN)2(μ-tpy)2][BPh4]2 has been determined. The two terpyridine ligands coordinate to the same Cu(I) center in a bidentate configuration, in which
the copper adopted a distorted tetrahedral geometry with the four nitrogen donors. The third ring of each terpyridine ligand
forms a bridge with a second Cu(I) center, whose tetrahedral coordination sphere is completed by two acetonitrile ligands.
The resulting structure represents a section of a double helix. Crystal data: space group C2/c, a = 27.202(5), b = 12.995(3), c = 23.409(5) ?, β = 123.13(3)°; V = 6930(2) ?3, Z = 4, R = 0.0613, wR
2 = 0.0946.
Graphical Abstract The molecular structure of [Cu2(MeCN)2(μ-tpy)2][BPh4]2 has been determined. The terpyridine ligands coordinate in a bidentate fashion to the same Cu center and monodentate to a
second Cu center resulting in a double helical structural motif.
相似文献
12.
Hong-Yun Jin Jing-Zhong Chen Xian-Wen Wang Shu-En Hou 《Journal of chemical crystallography》2009,39(3):182-185
Abstract A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu2(NO3)4(APTY)4 (1) (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one), has been successfully synthesized by solvothermal treatment of Cu(NO3)2 · 6H2O with APTY. Compound 1 crystallizes in the triclinic space group P-1 with cell parameters: a = 10.556(2) ?, b = 12.075(2) ?, c = 15.230(3) ?, α = 74.75(3), β = 81.50(3), γ = 70.60(3)°, V = 1762.7(6) ?3, R1 = 0.0493, wR2 = 0.1400, Z = 1, D
calc = 1.455 g/cm3, F(000) = 798, S = 1.009. In the compound molecules, each of the six-coordinated CuII atoms are bridged by APTY ligands into 18-membered macrocycle, and each the Cu2+ atoms exhibits a significantly distorted octahedral geometry. The crystal packing is stabilized by C–H···O hydrogen-bonding
interactions into a three-dimensional supramolecular framework.
Index Abstract A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu2(NO3)4(APTY)4 (1), has been successfully synthesized by solvothermal treatment (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one). The six-coordinated Cu2+ atom exhibit significantly distorted octahedral geometry. The crystal packing is stabilized by C–H···O hydrogen-bonding interactions
into a three-dimensional supramolecular framework. 相似文献
13.
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.
相似文献
14.
Ayesha Jacobs Serwalo M. Makgosi Luigi R. Nassimbeni Jana H. Taljaard 《Journal of chemical crystallography》2009,39(3):163-168
Abstract The inclusion compounds of 14-hydroxy-14-toluenyldibenzo[a:j]xanthene (H) with the guests acetone (H·ACE), pyridine (H·PYR) and N,N-dimethylformamide (H·DMF) were all successfully solved in the triclinic spacegroup P-1 with unit cell dimensions for H·ACE: a = 9.415(2) ?, b = 9.730(2) ?, c = 12.994(3) ?, α = 82.65(3), β = 76.69(3), γ = 88.67(3), Z = 2; for H·PYR: a = 9.482(2) ?, b = 10.169(2) ?, c = 13.089(3) ?, α = 106.59(3), β = 95.91(3), γ = 90.35(3), Z = 2 and for H·DMF: a = 9.537(19) ?, b = 10.055(2) ?, c = 13.129(3) ?, α = 79.18(3), β = 74.42(3), γ = 86.46(3), Z = 2. The thermal stabilities
for all compounds were investigated and in particular the kinetics of desolvation for the DMF compound was determined using
both isothermal and non-isothermal methods.
Index Abstract The host compound 14-hydroxy-14-toluenyldibenzo[a:j]xanthene forms inclusion compounds with the guests acetone, pyridine and
N,N-dimethylformamide. The crystal structures were determined and their thermal stabilities investigated. The kinetics of
desolvation for the DMF compound was determined using both isothermal and non-isothermal methods.
相似文献
15.
Jun Wang Jun Fan Wei-guang Zhang Zhi-hong Wang Jing-bo Tan 《Journal of chemical crystallography》2009,39(8):585-588
Index Abstract In the dinuclear compound (HPhen)2[Sm2(Hsal)8(H2O)2] · 2H2O (Hsal = o-HOC6H4CO2
−, Phen = 1,10-phenanthroline), intermolecular hydrogen bonds and π–π stacking interactions between parallel aromatic rings
result in the formation of a two-dimensional supramolecular network.
相似文献
16.
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
17.
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
18.
Abstract Co-crystallization of the tetra-iso-butyl-resorcin[4]arene (1) with 1,4-bis-(pyridyl)ethane (bpe) obtained from methanol yields a molecular solid of the multicomponent host–guest complex
1 · 2(bpe) · 0.5MeOH · H2O (2) in which 1 assemblies with water molecules to form a hydrogen-bonded dimer. The bpe ligands in both cis- and trans-stereo configurations exist in the complex 2, of which trans-bpe moieties as guests are encapsulated in the capsules constructed by two pairs of opposition bowls of resorcinarenes.
Graphical Abstract The 1,4-bis(pyridyl)ethane (bpe) ligands in both cis- and trans-stereo configurations exist in a multicomponent molecular solid, of which trans-bpe moieties as guests are encapsulated in the capsules constructed by two pairs of opposition bowls of resorcinarenes.
相似文献
19.
Abstract Two new coordination polymers {[Tb2(C4H4O5)3 · 4H2O] · 2H2O}
n
(1) and {[La2(C4H4O5)3 · 3H2O] · 3H2O}
n
(2) (C4H4O5
2− = diglycolato) were prepared by hydrothermal reaction and characterized by X-ray crystallography. The two complexes have
different network structures through carboxylate oxygen atoms and ether oxygen atoms from diglycolato ligands linking lanthanide
ions. The characteristic transition bands 5D4 → 7FJ (J = 6 − 3) of Tb(III) ion are observed in complex 1.
Graphical Abstract Two new coordination polymers {[Tb2(C4H4O5)3 · 4H2O] · 2H2O}
n
(1) and {[La2(C4H4O5)3 · 3H2O] · 3H2O}
n
(2) (C4H4O5
2− = diglycolato) have network structures through the carboxylate oxygen atoms and ether oxygen atoms from diglycolato ligands.
The emission spectrum of complex 1 indicates the 5D4 → 7FJ (J = 6 − 3) transitions of Tb(III) ion.
相似文献
20.
Shi-Qiang Liu Bin Quan Hong-Ru Dong Heng-Shan Dong 《Journal of chemical crystallography》2009,39(2):87-90
Abstract 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3
was synthesized from 1-aminonaphthalene. The yielded product 3 was investigated
with X-ray crystallographic, NMR, MS and IR techniques. Compound 3,
C14H11N3O2, Mr = 253.26,
crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4)
?, V = 2500.1(8) ?3, Z = 8, Dx = 1.346 Mgm-3. The final R was
0.0474. The molecular packing is stabilized by intermolecular O–H···N interactions.
Index Abstract 5-Methyl-1-(1-naphthyl)-1,2,3-triazol-4-carboxyl acid 3 was synthesized from 1-aminonaphthalene. The yielded product 3
was investigated with X-ray crystallographic, NMR, MS and IR techniques. Compound 3, C14H11N3O2, Mr = 253.26,
crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.068(2), b = 12.353(2), c = 20.102(4) ?,
α = β = γ = 90.00o. V = 2,500.1(8) ?3, Z = 8, Dx = 1.346 Mgm−3. The final R was 0.0474. The molecular packing is stabilized by
intermolecular O–H···N interactions.
相似文献