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1.
Abstract The X-ray crystal structure of the complex formed between 5,5′-bipyrimidine and C-methylresorcinarene is described. The structure
(C41H45N5O12) is triclinic with a = 12.8610(10), b = 13.0560(10), c = 13.6068(11)?, α = 104.0730(10), β = 104.9260(10), γ = 111.6430(10)° and space group P-1. The structure reveals that the resorcinarene adopts a boat conformation and forms a
three-dimensional network through hydrogen bonding to two water molecules and one dipyrimidine ligand. A single nitromethane
molecule is included in the superstructure.
Graphical Abstract
Self-Assembly of C-Methyl Calix[4]resorcinarene with 5,5’-Bipyrimidine
Charles L. Barnes(1) and Eric Bosch(2)*
The X-ray crystal structure of the complex formed between 5,5′-bipyrimidine and C-methylresorcinarene is reported.
相似文献
2.
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
3.
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
4.
Saroj K. S. Hazari Debashish Palit Tapashi G. Roy Sukla Rakshit Julio Zukerman-Schpector Edward R. T. Tiekink 《Journal of chemical crystallography》2009,39(4):261-265
Abstract The title dinuclear complex, [(cis-MoO2L)(μ-O)(cis-MoOL(OH2)], was characterized as a chloroform solvate. In this structure, one Mo atom features a cis-[MoO2]2+ core to which is also bonded a dinegative, tridentate S-benzyl 3-(2-hydroxyphenyl)methylenedithiocarbazate ligand (= L), via sulfur-, oxygen-, and nitrogen-donors, and a water molecule
completes the distorted octahedral coordination geometry. A similar NO4S donor set is found for the other Mo atom but in this case, the water molecule is substituted by a bridging oxo atom derived
from the first Mo species. Two dimers associate via cooperative O–H⋯O hydrogen bonds to form a supramolecular dimer which,
in turn, are linked into supramolecular chains via O–H⋯N hydrogen bonding. The complex crystallizes in the triclinic space
group P-1 with a = 10.4714(12) ?, b = 10.7627(14) ?, c = 16.708(2) ?, α = 87.916(7)°, β = 76.249(6)°, γ = 83.610(7)°, and Z = 2.
Index Abstract Dinuclear [(cis-MoO2L)(μ-O)(cis-MoOL(OH2)], characterized as a chloroform solvate, with octahedral Mo centers, are connected into supramolecular dimers via O–H⋯O
hydrogen bonding which are connected via O–H⋯N hydrogen bonds into chains.
相似文献
5.
Tamboura Farba Bouyagui Gaye Mohamed Nedelec Jean Marie Mentre Olivier 《Journal of chemical crystallography》2008,38(6):471-474
Abstract The copper complex [Cu(C23H27Br2N4O2)(H2O)(NO3)]2 was synthesized and characterized by X-ray diffraction. The complex crystallizes in the triclinic system with space group
P-1, lattice parameters: a = 13.2293(18) (?), b = 14.184(20) (?), c = 16.522(23) (?), α = 91.923(2)°, β = 111.777(2)°, γ = 111.259(2)°, V = 2632.0(6) ?3, Z = 4, D
c
= 0.88 Mg m−3. In the title compound [Cu(C23H27Br2N4O2)(H2O)(NO3)]2, the coordination polyhedron of the Cu atom is a square-planar environment. The structure consists of mononuclear units in
which the copper(II) ions are linked in the plane by N, N′ iminato and O, O′ phenoxo atoms. In addition the crystal lattice
contains one water molecule per unit.
Graphical Abstract Dissymmetric ligand was efficiently synthesized and used to prepfsare a copper(II) complex which was characterized by X-ray
diffraction
相似文献
6.
Nermin Doğan Süheyla Özbey Mehmet Karakaplan Tarık Aral 《Journal of chemical crystallography》2008,38(12):943-947
Abstract The crystal and molecular structure of chiral crown ether, (S)-2-[(4-methoxyphenoxy)methyl]-15-crown-5 · NaClO4, has been determined by single-crystal X-ray diffraction. The complex crystallizes in the orthorombic space group Pbca with
Z = 8. Lattice parameters are a = 11.451(2), b = 12.842(3), c = 31.330(7) ?. The structure was refined to R factor of 0.0547.
The Na ion is heptacoordinated. The Na–Oether distances range from 2.363(4) to 2.433(4) ? and average 2.404(5) ?. Perchlorate anion is bounded to sodium ion asymmetrically;
the Na–O8 and Na–O9 distances are 2.444(5) ? and 2.607(5) ?. The C–O and C–C distances of the 15-membered ring average 1.419(9)
and 1.478(12) ? while the O–C–C and C–O–C angles average 108.2(6)˚ and 115.4(6)˚.
Index Abstract In the molecule, the sodium ion is seven coordinated by the five ring oxygen atoms and two oxygen atoms of the perchlorate
anion. The macrocyclic strand of the molecule displays ag-a, ag+a, ag−a, ag+a, ag−g-set of torsion angles.
相似文献
7.
Carol A. Ellis Edward R. T. Tiekink Julio Zukerman-Schpector 《Journal of chemical crystallography》2008,38(7):513-517
Abstract The title organic salt comprises a (E)-4-[2-(4-hydroxyphenyl)vinyl]-1-methylpyridinium cation, a 3-nitro-phenoxide anion and a solvent water molecule of crystallisation.
The anions and water molecules aggregate to form supramolecular chains facilitated by charge-assisted O–H···O hydrogen bonds
and these form layers which are interspersed by layers of cations. Interactions between layers include O–H···O hydrogen bonding,
as well as C–H···O and C–H···π contacts; π···π and C–H···O contacts are found within layers of cations. The compound crystallizes
in the monoclinic space group P21/n with a = 15.018(7) ?, b = 7.328(2) ?, c = 17.571(7) ?, β = 112.342(15)°, and Z = 4.
Index Abstract A layer structure comprising alternating anions/water molecules and cations associated via charge-assisted O–H···O hydrogen
bonding as well as C–H···O, C–H···π and π···π contacts is found in (II)
. 相似文献
8.
Abstract Proton transfer occurred during co-crystallization of 1,2-(4-pyridyl)ethane with 2-(4-hydroxyphenylazo)benzoic acid to yield
a salt comprising a 1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions. Centrosymmetrically
related anions associate by charge-assisted O–H···O hydrogen bonds to form 24-membered {···OC3N2C4OH}2 synthons. These are connected into a supramolecular polymer via charge-assisted N–H···O hydrogen bonds involving the 1,2-bis(4-pyridinium)ethane
dications. The compound crystallizes in the triclinic space group P−1 with a = 8.517(4) ?, b = 9.110(5) ?, c = 10.477(5) ?, α = 96.850(13)°, β = 94.446(12)°, γ = 104.946(10)° and Z = 1 {two anions and a dication}.
Index Abstract Supramolecular chains mediated by charge-assisted O–H···O and N–H···O hydrogen bonding are found in the salt containing a
1:2 ratio of 1,2-bis(4-pyridinium)ethane dications and 2-(4-hydroxyphenylazo)benzoate anions.
相似文献
9.
Abstract The Ni(II) complex, [Ni(H2biim)2(PABA)2]Cl2·2H2O, H2biim being 2,2′-biimidazole, PABA being 4-aminobenzoic acid has been synthesized and the crystal structure determined using
X-ray crystallography. The complex crystallizes in triclinic system, space group P − 1 with unit cell parameters a = 8.3920(9) ?, b = 9.8436(11) ?, c = 9.8874(11) ?, α = 94.862(2)°, β = 109.142(2)°, γ = 90.992(2)°, V = 767.95(15) ?3 and Z = 1. The molecules of the complex in the crystal assemble by way of N–H⋯Cl, O–H⋯Cl, O–H⋯O hydrogen bonds as well as π–π stacking
interactions to provide a two-dimensional supramolecular structure.
Index Abstract Synthesis and Crystal Structure of Nickel(II) Complex with 2,2′-Biimidazole and 4-Aminobenzoic Acid
Yanping Li and Pin Yang*
The molecules of the title complex [Ni(H2biim)2(PABA)2]Cl2·2H2O in the crystal assemble by way of N–H⋯Cl, O–H⋯Cl, O–H⋯O hydrogen bonds as well as π–π stacking interactions to provide a
two-dimensional supramolecular structure.
相似文献
10.
Xiao Han Zhong-Lu You Yong-Ting Xu Xiao-Min Wang 《Journal of chemical crystallography》2006,36(11):743-746
Colourless block-shaped crystals of Dichloro{2-methoxy-6-[(3-cyclohexylaminopropy-limino)methyl]phenolato}zinc(II) methanol, [Zn(C17H26N2O2)Cl2].CH3OH, have been obtained and characterized by elemental analysis, IR and X-ray single crystal determination. The complex crystallizes in the monoclinic space group P21/n with unit cell dimensions a=12.980(3) ?, b=13.139(3) ?, c=13.277(3) ?, β=107.00(3)°, V=2165.4(8) ?3, Z=4, R
1=0.0631 and wR2=0.1110. X-ray structure determination revealed that the complex consists of a [Zn(C17H26N2O)Cl2] moiety and a lattice MeOH molecule. In the crystal structure, molecules are linked through intermolecular N–HO, C–HCl and O–HCl hydrogen bonds, forming chains. It is the first complex derived from the Schiff base ligand 2-methoxy-6-[(3-cyclohexylaminopropylimino)methyl]phenol.Supplementary materialCCDC-606067 contains the supplementary crystallographic data for this paper. These data can be obtained free of charge at http://www.ccdccam.ac.uk/const/retrieving.html or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44(0)1223-336033 or e-mail: deposit@ccdc.cam.ac.uk. 相似文献
11.
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
12.
Davar M. Boghaei Fatemeh Behzadian-Asl Hamid Reza Khavasi 《Journal of chemical crystallography》2008,38(4):311-314
Abstract The chemical preparation and crystal structure for a 4,4′-azodi(phenylcyanamide) salt) in the solid state are reported. This
compound crystallizes in the triclinic space group P
with the following unit cell parameters: a = 9.759(3) ?, b = 11.237(4) ?, c = 11.919(4) ?, α = 95.54(3)°, β = 98.50(3)°, γ = 109.39(2)°, Z = 1 and V = 1204.4(7) ?3. The 4,4′-azodi(phenylcyanamide) dianion, azodicyd2−, is approximately planar, with the cyanamide groups (–N=C=N) in an anti conformation relative to each other and the azo group (–N=N–) adopting the more thermodynamically stable trans conformation. The crystal X-ray analysis shows that there are one azo molecule cation, two tetrabutylammonium cations and
one water molecule in unit cell. Intermolecular O–H···N hydrogen bonds may be effective in the stabilization of the crystal
structure of this compound and to form linear chain structure in the packing.
Index Abstract Synthesis and crystal structure of Bis (Tetrabutylammonium)(4,4′-Azodi(phenylcyanamide)) salt . [(n-Bu)4N]2[Azodicyd2-] · H2O
Davar M. Boghaei 1*, Fatemeh Behzadian-Asl 1 and Hamid Reza Khavasi2
1 Department of Chemistry, Sharif University of Technology, P.O. Box 11155-9616, Tehran, Iran
2 Department of Chemistry, Shahid Beheshti University, Evin, Tehran 1983963113, Iran
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
13.
Abstract Two isoflavone derivatives, 5,6,7,4′-tetramethoxyisoflavone (I) and 6,4′-dimethoxy- 7-ethoxy-5-hydroxylisoflavone (II), have
been synthesized and their crystal structures were determined by 1H NMR and single crystal X-ray diffraction studies. I is triclinic, space group P-1 with a = 7.828(1) ?, b = 10.285(2) ?, c = 11.608(2) ?, α = 104.90(2)°, β = 110.546(9)°, γ = 99.54(1)° and Z = 2. II is orthorhombic, space group Pna2
1
with a = 7.0244(6) ?, b = 15.0104(15) ?, c = 15.7538(15) ?, and Z = 4. Molecules of I are linked into two-dimensional structure by a combination of C–H···O hydrogen bond and F-type aromatic–aromatic
interactions. II shows some discrepancies with I and the molecules are linked into columns by T-type aromatic-aromatic interaction.
Graphical Abstract
F-type or T-type Aromatic–Aromatic Interaction in Two Isoflavone Derivatives
Zun-Ting Zhang,* Xue-Ling Zhang
Molecules of 5,6,7,4′-tetramethoxyisoflavone are linked into two-dimensional structure by a combination of C–H···O hydrogen
bond and F-type aromatic–aromatic interactions; 6,4′-dimethoxy-7-ethoxy-5-hydroxylisoflavone shows some discrepancies with
5,6,7,4′-tetramethoxyisoflavone and the molecules are linked into columns by T-type aromatic–aromatic interaction.
相似文献
14.
Xiu-Li Wang Bao-Kuan Chen Hong-Yan Lin Yan-Feng Bi Guo-Cheng Liu 《Journal of chemical crystallography》2008,38(5):339-343
Abstract Two isostructural dinuclear complexes [M2(Dpq)2(phth)2(H2O)4] · 2H2O [M = Zn(1), Ni(2), Dpq = dipyrido[3,2-d:2′,3′-f]quinoxaline, phth = phthalate] have been synthesized and characterized.
Crystal data: (1), Mr = 1031.55, monoclinic, C2/c, a = 27.7948(11), b = 10.5196(4), c = 15.0390(5) ?, β = 110.818(1), Z = 4, V = 4110.2 ?3, R
1 = 0.0277, wR
2 = 0.0718 [I > 2σ(I)]; (2), Mr = 1018.19, monoclinic, C2/c, a = 27.675(4), b = 10.3601(15), c = 15.082(2) ?, β = 110.954(2), Z = 4, V = 4038.3 ?3, R
1 = 0.0248, wR
2 = 0.0668 [I > 2σ(I)]. The dinuclear units are connected into 2-D supramolecular net through O–H···O hydrogen bonding. Moreover, the 2-D networks
are ultimately packed into a 3-D supramolecular structure via interlayer π···π stacking interaction between the aromatic rings of Dpq ligands. Furthermore, the photoluminescence property of compound 1 is also studied.
Graphical Abstract Two isostructural dinuclear complexes [M2(Dpq)2(phth)2(H2O)4] · 2H2O [M = Zn(1), Ni(2), Dpq = dipyrido[3,2-d:2′,3′-f]quinoxaline, phth = phthalate] have been synthesized, and the structure
study reveals that each dinuclear complex is connected with six other dinuclear units through the O–H···O hydrogen bonding
to form 2-D supramolecular networks.
相似文献
15.
Su-Rong Fang Ai-Hong Yang Yan-Ping Zhang Hong-Ling Gao Jian-Zhong Cui 《Journal of chemical crystallography》2008,38(5):393-396
Abstract A new complex [Co(H2pztc)(bpy)H2O] (H4pztc = pyrazine-2,3,5,6-tetracarboxylic acid, bpy = 2,2′-bipyridine) has been synthesized by hydrothermal reactions of Co(NO3)2 · 6H2O with H4pztc and bpy and characterized by IR and X-ray diffraction single crystal structure analysis. It belongs to monoclinic system,
P21/c space group with a = 13.454(2) ?, b = 12.939(2) ?, c = 11.4993(19) ?, α = 90°, β = 111.640(3)°, γ = 90°. This complex is assembled into 3D supramolecular architecture by hydrogen bonds (O–H···O, C–H···O).
Index Abstract A new complex of cobalt(II) with pyrazine-2,3,5,6-tetracarboxylic acid and 2,2′-bipyridine is assembled by intermolecular
hydrogen bonds forming 2D layer and 3D supramolecular network.
相似文献
16.
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
17.
Yu Wang Christopher G. F. Cooper Brian S. Luisi Brian Moulton John C. MacDonald 《Journal of chemical crystallography》2007,37(4):299-308
Reaction of 1,2-bis(2,6-dicarboxypyridin-4-yl)ethyne and imidazole with Cu(II) produces crystals containing a discrete complex
of [μ-4,4′-(1,2-ethynediyl)-bis(pyridine-2,6-dicarboxylato)-N, O, O′-μ-N′, O′′, O′′′]-diaqua-bis(imidazole)-dicopper(II) complex
(1), [(C16H4N2O8)(C3H4N2)2(H2O)2Cu2] instead of a linear coordination polymer. The complex crystallizes in the monoclinic space group P21/n with a = 5.3763(8) ?, b = 18.522(3) ?, c = 11.4827(7) ?, β = 93.705(3) ° and Z = 2. The complex sits on a center of symmetry such that the two halves of the molecule are related by inversion symmetry.
The molecules pack in layers in which the molecules are joined by intermolecular N–H⋯O hydrogen bonds between imidazole and
carboxylate groups and O–H⋯O hydrogen bonds between carboxylate groups and water. 相似文献
18.
Abstract Two apigenin alkylation derivatives, 4′,7-dimethoxyl-5-hydroxyflavone (I) and 4′,7-diethoxyl-5-hydroxyflavone (II), have been
synthesized and their crystal structures were determined by 1H NMR and single crystal X-ray diffraction study. (I) is triclinic, space group P−1 with a = 7.120(5) ?, b = 7.297(5) ?, c = 13.559(10) ?, α = 89.313(12)°, β = 86.298(12)°, γ = 83.999(13)° and Z = 2. (II) is monoclinic, space group P 21
/c with a = 16. 309(4) ?, b = 7.303(2) ?, c = 15.185(4) ?, α = 90.00°, β = 115.70(2)°, γ = 90.00° and Z = 4. They have the same flavone skeleton which is composed of a benzopyranone moiety and a phenyl moiety. Molecules of (I)
are linked into a two-dimensional network by a combination of C–H···O hydrogen bond and π–π stacking interactions. (II) shows
some discrepancies with (I) and the molecules are linked into a column by π–π stacking interaction.
Graphical Abstract Two apigenin alkylation derivatives, 4′,7-dimethoxyl-5-hydroxyflavone (I) and 4′,7-diethoxyl-5-hydroxyflavone (II) were synthesized
and their crystal structures were determined by single-crystal X-ray diffraction. Hydrogen bonding and π–π stacking interactions
assemble (I) into a two-dimensional network, and in the crystal structure of (II), π–π stacking interaction leads to the formation
of a column.
相似文献
19.
Hossein Aghabozorg Mohammad Ghadermazi Bahar Nakhjavan Faranak Manteghi 《Journal of chemical crystallography》2008,38(2):135-145
Abstract The three complexes (pnH2)[Co(pydc)2]·4H2O 1, (pnH2)[Cu(pydc)2]·4H2O 2, and (pnH2)[Cd(pydc)2]·3.5H2O 3 (pn: propane-1,3-diamine, pydc: pyridine-2,6-dicarboxylate) were prepared using a proton transfer compound (pnH2)(pydc)·(pydcH2)·2.5H2O, LH
2
and corresponding metallic salts. The characterization was carried out using elemental analysis, IR and NMR spectroscopy,
and single crystal X-ray diffraction. Complexes 1 and 2 crystallize in space group P
, but complex 3 crystallizes in space group P2/c. Cell parameters of the complexes are a = 8.449(1) ?, b = 11.668(1) ?, c = 12.801(1) ?, α = 115.748(2)°, β = 93.038(2)°, γ = 97.867(2)° for 1; a = 7.973(2) ?, b = 16.632(2) ?, c = 25.280(5) ?, α = 94.178(6)°, β = 95.186(6)°, γ = 91.603(5)° for 2 and a = 20.055(1) ?, b = 13.8161(9) ?, c = 8.2418(5) ?, β = 100.086(1)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In structures of 2 and 3, it can be seen that propane-1,3-diaminium fragments have different conformations. The complexes have ion-pairing interactions,
O–H···O, N–H···O and C–H···O hydrogen bonds, π–π stacking as well as van der Waals forces as the main factors in formation
of their supramolecular structures.
Index Abstract
Supramolecular Cobalt(II), Copper(II) and Cadmium(II) Complexes Obtained from a Proton Transfer Compound including Pyridine-2,6-dicarboxylate
and Propane-1,3-diaminium Ions; Synthesis, Characterization and Crystal Structure
Hossein Aghabozorg, Mohammad Ghadermazi,Bahar Nakhjavan, Faranak Manteghi
The synthesis, characterization, crystal structure and non-covalent interactions of three supramolecular complexes of Co(II),
Cu(II) and Cd(II) obtained by the reaction of a proton transfer compound i.e. (pnH2)(pydc)·(pydcH2)·2.5H2O with the corresponding metallic salts are reported.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
20.
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.
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