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1.
Michael J. Zaworotko Hassan H. Hammud Victor Ch. Kravtsov 《Journal of chemical crystallography》2007,37(3):219-231
Crystal of [Fe(Phen)3]Cl(PHB).2(PHBH).7H2O (1) is triclinic, space group P-1 with a = 12.0388(11) ?, b = 15.5286(14) ?, c = 15.7794(14) ?, α = 89.759(2)°, β = 75.818(2)°, γ = 71.900(2)° and Z = 2, (phen = phenanthroline, PHBH = p-hydroxybenzoic acid, PHB = p-hydroxybenzoate anion). The phen in adjacent Fe(phen)3
2+ cations are π–π interacted forming offset face to face (OFF) motifs. Juxtaposition of four phen ligands from two cations
encapsulate an R2
2(8) dimeric unit of H-bonded PHBH molecules within a centrosymmetric box froming a filled aryl box motif (FAB). Alternation
of OFF and FAB motifs form {OFF⋯FAB}∞ strands. The Fe(phen)3
2+ cation engages its phen ligands in π–π and/or CH–π interactions with two crystalographically different PHBH molecules and
one PHB anion. Seven water molecules and a chloride anion per iron(II) trisphenanthroline cation fill empty spaces in the
structure forming a hydrophilic cluster. Extensive intermolecular H-bond interactions occur between water molecules, chloride
anions, PHBH molecules, and PHB anions. Thermal analysis of (1) was done under N2(g). The TG, and dTG curves revealed the expected mass losses. All associated processes are endothermic as shown in the DSC curve. 相似文献
2.
Abstract The crystal structure of 4,4′-bipyridin-1-ium perchlorate dihydrate, [C10H9N2](ClO4) · 2H2O, is determined by room temperature X-ray diffraction. The compound crystallizes in the triclinic space group P-1 with a = 8.122(3) ?, b = 9.726(3) ?, c = 17.648(6) ?, α = 78.181(4)°, β = 82.797(5)°, γ = 67.439(4)°, Z = 2, V = 1258.4(7) ?3. In the compound, monoprotonated 4,4′-bipyridin-1-ium cations are self-assembled into supramolecular chains along the a-axis through N–H···N hydrogen bonds in a head-to-tail fashion. The chains are stacked via π–π stacking interactions to create
two-dimensional sheets. The interlayer space is occupied by the hydrogen-bonded water chains that are linked to the organic
sheets via C–H···O interactions and the perchlorate anions that are linked to the water chains and the organic sheets via
O–H···O and C–H···O hydrogen bonds, respectively, thus generating a three-dimensional supramolecular architecture.
Index Abstract Supramolecular Network via Hydrogen Bonding and π–π Stacking in 4,4′-Bipyridin-1-ium perchlorate dihydrate
Jian-Yong Zhang, Ai-Ling Cheng and En-Qing Gao*
Monoprotonated 4,4′-bipyridin-1-ium cations are self-assembled into supramolecular chains along the a-axis through N–H···N hydrogen bonds, and these chains are stacked via π–π stacking and hydrogen bond interactions involving
water molecules and perchlorate anions.
相似文献
3.
Vince C. R. Payne Oliver St. C. Headley Robert T. Stibrany Paul T. Maragh Tara P. Dasgupta Anthony M. Newton Alvin A. Holder 《Journal of chemical crystallography》2007,37(4):309-314
The synthesis, X-ray crystallography, spectroscopic, and electrochemical properties of the title compound, [Hdpa][Cr(dipic)2]·3H2O, 1, are reported. Compound 1 crystallized in the triclinic space group P-1 with a = 7.1057(11) ?, b = 12.965(2) ?, c = 14.269(2) ?, α = 80.306(3)°, β = 82.101(2)°, γ = 83.799(2)°, and V = 1278.6(4) ?3 with Z = 2. The distorted octahedral chromium anions are part of an elaborate network of hydrogen bonding formed by the waters of
solvation, the anion, and cation as well as π-stacking interactions. 相似文献
4.
Chun-Hua Ge Xiang-Dong Zhang Wei Guan Qi-Tao Liu 《Journal of chemical crystallography》2006,36(8):459-464
Two complexes Cu(L)2(CH3COO)2 (1) and [Cu2(μ-CH3COO)4(L)2](L)2 (2) (L = N-(4′-methylaniline)-4-pyridinecarboxamide) have been prepared and their crystal structures have been determined by single-crystal X-ray diffraction. The complexes are obtained by using the same raw materials and reaction conditions except solvents. The presence or absence of water controls the coordination mode to give rise to different structures. The structure of 1 has a triclinic space group P-1 with a = 8.381(3) ?, b = 8.545(4) ?, c = 11.357(5) ?, α = 110.654(6)°, β = 102.388(7)°, γ = 97.889(7)°, V = 722.9(5) ?3, and Z = 1. The structure of 2 has a triclinic space group P-1 with a = 9.121(3) ?, b = 9.454(3) ?, c = 17.233(5) ?, α = 77.374(5)°, β = 89.827(6)°, γ = 74.342(6)°, V = 1393.8(7) ?3, and Z = 1. Supramolecular assemblies have also been found via noncovalent bonds such as hydrogen bonds, π–π stacking interactions. 相似文献
5.
Two new nickel(II)(cyclen) coordination polymers, {[Ni(cyclen)·(bipy)]·(ClO4)2}n (1) and [Ni(cyclen)]2·(squa)·(ClO4)2 (2) have been synthesized and characterized structurally, where cyclen is 1,4,7,10-tetraazadodecane. Compound 1 crystallizes in the monoclinic system, space group C2/c, with a = 10.5339(17) ?, b = 14.565(2) ?, c = 16.133(3) ?, β = 102.799(2)°, V = 2413.4(7) ?3. Compound 2 crystallizes in the orthorhombic system, space group P
nm
a with a = 25.722(3) ?, b = 11.1168(12) ?, c = 11.4580(13) ?, V = 3276.3(6) ?3. In both compounds, each NiII center is in a distorted octahedral coordinated environment with four Ncyclen atoms and two Npyridine atoms from 4,4′-bipyridine linker for 1 and two Oaqueou atoms from the coordinated water for 2, respectively. The complex 1 exhibits infinite zigzag 1D chains by linking of 4,4′-bipyridine coordinated. In complex 2, 2D sheet supramolecule generated through self-assembling by hydrogen bond. 相似文献
6.
Brian R. Landry Mark M. Turnbull Brendan Twamley 《Journal of chemical crystallography》2007,37(2):81-86
2,4-Dioxo-4-phenylbutanoic acid, 1, was synthesized as a biproduct of the attempted synthesis of 1,6-bisphenyl-1,3,4,6-hexanetetrone. Crystals of [Cu(H2O)(bipy)
(L)][Cu(bipy)(L)(NO3)] (H2O)(NO3) (L = 2,4-dioxolato-4-phenylbutanoic acid and bipy = 2,2′-bipyridine), 2, were grown by slow evaporation of a solution of Cu(NO3)2·3 H2O, 2,2′-bipyridine, and 1 in a mixture of ethanol and water. The compound crystallized in the triclinic space group P-1 and is made up of two distinct
molecular units each with approximately square pyramidal geometry: a = 10.663(2) ?, b = 13.275(3) ?, c = 15.071(3) ?, α = 80.26(3)°, β = 74.13(3)°, γ = 89.12(3)°. The copper ions are chelated by molecules of 1 and molecules of bipyridine. The molecular units are arrayed in rows held together by pi-stacking interactions and hydrogen
bonding. 相似文献
7.
Manjit K. Bhattacharyya Sanchay J. Bora Birinchi K. Das 《Journal of chemical crystallography》2008,38(3):195-203
Abstract A new complex containing two different substituted pyridine ligands, viz. 4-CNpy (4-cyanopyridine) and pdc (pyridine-2,6-dicarboxylate),
[Ni(H2O)2(pdc)(4-CNpy)] · 2H2O (1), has been prepared using [Ni(4-CNpy)2(H2O)3(SO4)] · H2O (2) as the starting compound. Crystal data on 1 are: monoclinic, P21/c, a = 11.533(2) ?, b = 20.114(4) ?, c = 7.306(1) ?, β = 93.777(3)°, V = 1,691.1(5) ?3, Z = 2, D
calc. = 1.57 g cm−3, R
1 = 0.0585, w R
2 = 0.1236 for reflections with I > 4σ(F
0) and 268 parameters (R
1 = 0.0859, wR
2 = 0.1336 for all 4,024 reflections). The discrete molecules of the title complex remain hydrogen-bonded to assemble into
supramolecular layers interleaved by disordered water molecules. In an attempt to obtain the cationic complex species cis-[Ni(H2O)4(4-CNpy)2]2+ we have isolated the compound [Ni(H2O)4(4-CNpy)2] · (BPh4)2 · 2(4-CNpy) · 4H2O (3) by adding NaBPh4 to an aqueous solution of 2. Crystal data on 3 are: monoclinic, P21/n, a = 10.5002(1) ?, b = 21.1692(3) ?, c = 15.3249(2) ?, β = 95.120(1)°, V = 3392.84(7) ?3, Z = 2, D
calc. = 1.231 g cm−3, R
1 = 0.0453, wR
2 = 0.1217 for reflections with I > 4σ (F
0) and 556 parameters (R
1 = 0.0688, wR
2 = 0.1364 for all 9,257 reflections).
Index Abstract Synthesis and Crystal Structure of [Ni(H2O)2(pdc)(4-CNpy)] · 2H2O (pdc = Pyridine-2,6-dicarboxylate, 4-CNpy = 4-cyanopyridine)
Manjit K. Bhattacharyya, Sanchay J. Bora and Birinchi K. Das
Crystal structure of a new nickel(II) complex displaying a supramolecular layered structure is described.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
8.
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
9.
Rawhi Al-Far Basem F. Ali Khaldoun Al-Sou’oud 《Journal of chemical crystallography》2006,36(8):523-529
The bis(2-amino-5-methylpyridinium) tetrabromomercurate(II) (C6H9N2)2[HgBr4] salt is triclinic, P1, with the following cell parameters: a=8.060(8) ?, b=9.035(9) ?, c=14.964(10) ?, α=96.032(19)°, β=90.317(15)°, γ=113.32(2)°, V=993.8(15) ?3, with Z=2 formula units. The crystal structure consists of alternating stacks of inorganic HgBr4
2− anions and organic layers of 2-amino-5-methylpyridinium cations parallel to c-axis. The cohesion forces that connect molecules in the organic layers are N···HC hydrogen bonding and π–π stacking. The HgBr4
2− units in the inorganic stacks are attracted via Br···Br intermolecular interactions.Supplementary material CCDC 270395 contains the supplementary crystallographic data. These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, or by e-mailing at data_request@ccdc.cam.ac.uk, or by contacting the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: + 44(0)1223-336033. 相似文献
10.
Poonam Kaushik Dejan-Krešimir Bučar Leonard R. MacGillivray 《Journal of chemical crystallography》2007,37(10):713-715
Abstract The crystal and molecular structure of trans-1,2-bis(2-benzothiazolyl)ethene is reported. Crystal data for 1: monoclinic, space group C 2/c, a = 24.926(3) ?, b = 4.843(1) ?, c = 11.164(1) ?, β = 105.274(5) °, V = 1300.0(3) ?3, and D
c
= 1.50 g/cm3 for Z = 4 and R = 0.028. The molecule crystallizes in the form of a colorless plate and forms one-dimensional slipped π-stacks.
Graphical Abstract The title compound crystallizes to form 1D slipped π-stacks in the solid state.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
11.
Copper(II) and lead(II) complexes of 4,4′-bipyridine-<Emphasis Type="Italic">N,N</Emphasis>′-dioxide
Cu(II) and Pb(II) complexes of 4,4′-bipyridine-N,N′-dioxide have been prepared using a solvent-layering system. [Cu2Cl4(bpdo)3(H2O)2] . 2(CH3)2SO (1) crystallises in P-1, a=8.731(2), b=8.943(2), c=14.408(3) ?, α=102.85(3), β=97.49(3), γ=109.77(3)°. The Cu(II) complex is a z-shaped discrete molecule with a DMSO molecule
hydrogen bonded to the host through coordinated water molecule. Crystallisation of PbCl2, PbBr2 and PbI2 with bpdo afforded isostructural 2D coordination polymers. [PbCl2(bpdo)]n is monoclinic, C2/c with a=16.3274(7), b=4.0708(1), c=18.6146(8) ?, β=93.73(1)°; [PbBr2(bpdo)]n is monoclinic, C2/c with a=16.403(3), b=4.2412(8), c=18.846(4) ?, β=92.59(3)° and [PbI2(bpdo)]n is monoclinic, C2/c with a=16.438(3), b=4.538(1), c=18.973(4) ?, β=91.04(3)°. The adjacent metal centres of these polymers are bridged by coordinated Cl−, Br− or I− anions as well as by bpdo ligands. These polymers possess no conventional hydrogen bonds. 相似文献
12.
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
13.
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
14.
Sarah Holzer Frank R. Fronczek Victor G. Young Jr. Stephen Fox 《Journal of chemical crystallography》2006,36(12):883-889
The molecular bis(2-N-H-pyrrolylcarbaldimine)nickel(II) and palladium(II) complexes are isolated in moderate yield (30–35%) from in situ assembly of the Schiff base with metal(II) salt, base, and pyrrole-2-carbaldehyde in aqueous ammonia solution. The nickel(II) complex, 1, is monoclinic, space group P21/c, with a=11.289(6) ?, b=5.611(3) ?, c=8.287(5) ?, β=111.620(6)°, and V=488.0(5) ?3 with Z=2, for d
calc=1.667 Mg/m3. The palladium analog, 2, is isomorphous, space group P21/c, with a=11.481(3) ?, b=5.5738(10) ?, c=8.276(2) ?, β=110.923(12)°, and V=494.7(2) ?3 with Z=2, for d
calc=1.965 Mg/m3. In both crystal structures, the metal resides on an inversion center. In the IR spectra, ν(C=N) appears at 1561 cm−1 in 1, and 1557 cm−1 in 2, while ν(N–H) shows at 3345 cm−1 and 3335 cm−1, respectively. The 1H-nmr spectra reveal the C–H and N–H protons of the imine group as sharp and broad doublets, respectively, at 7.62 and 8.38 δ in 1 and at 7.92 and 9.73 δ in 2. 相似文献
15.
Irena Ćaleta Dominik Cinčić Grace Karminski-Zamola Branko Kaitner 《Journal of chemical crystallography》2008,38(10):775-780
Abstract Two novel benzothiazoles 2-chloro-N-(benzothiazol-2-yl)benzamide (1) and 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide (2) were obtained in multistep synthesis. They were characterised by means of IR, 1H- and 13C-NMR spectroscopy and also by single-crystal X-ray diffraction. The compound 1 crystallises with triclinic space group P
, a = 9.5923(8) ?, b = 9.8583(8) ?, c = 13.8962(10) ?, α = 89.162(6)°, β = 77.741(7)°, γ = 80.064(7)°, V = 1264.5(2) ?3, Z = 4 and compound 2 crystallises as methanol solvate with monoclinic space group P 21/n, a = 7.5093(9) ?, b = 13.0211(14) ?, c = 16.032(2) ?, β = 92.717(10)°, V = 1565.9(3) ?3, Z = 4. Both crystal structures consist of discrete dimers connected into a three-dimensional network by intermolecular C–H···O
and C–H···X (X = Cl or S) hydrogen bonds and by face-to-face π–π stacking interactions.
Index Abstract The synthesis and structure of two novel N-(benzothiazol-2-yl)benzamides. Irena Ćaleta, Dominik Cinčić, GraceKarminski-Zamola and Branko Kaitner. Hydrogen bonds and
π–π interactions in N-(benzothiazol-2-yl)benzamides N-(benzothiazol-2-yl)benzamides.
相似文献
16.
K. Palani N. Sureshbabu P. C. Srinivasan M. Nethaji M. N. Ponnuswamy 《Journal of chemical crystallography》2006,36(6):349-355
The compounds 3-(1-Benzenesulfonyl-3-phenylsulfanyl-1H-indol-2-yl)-1-[4-methyl (I)/methoxy (II)phenyl)]-2-phenyl-propane-1-one crystallize in triclinic space group P
. The details are: compound I
a = 11.941(6) ?, b = 12.154(7) ?, c = 13.006(7) ?, α = 63.124(8)°, β = 84.464(9)°, γ = 64.810(8)°, V = 1519.7(14) ?3, Z = 2, D
cal = 1.284 Mg m−3, and R = 0.0382 (wR = 0.0978); compound II
a = 11.897(6) ?, b = 12.268(6) ?, c = 13.001(7) ?, α = 61.919(8)°, β = 83.480(8)°, γ = 64.676(7)°, V = 1504.0(14) ?3, Z = 2, D
cal = 1.333 Mg m−3, and R = 0.0422 (wR = 0.1049). The indole ring system in both the molecules I and II are not strictly planar and the dihedral angles formed by the pyrrole and benzo planes are 4.0(7)° and 3.5(8)°, respectively. The C–HO, C–Hπ and ππ types of interactions stabilize the molecules in the unit cell in addition to van der Waal's forces in I and II. 相似文献
17.
The dinuclear copper(II) complex {[Cu(pmea)Cl][Cu(H2O)3Cl]}(Cl)·H2O (1) (pmea =bis(2-pyridylmethyl)amino-2-ethanoic acid) has been synthesized and characterized. It crystallizes in the monoclinic system P21/c, a = 9.0057(11), b = 28.031(3), c = 8.5669(10) Å, β = 104.267(2)°, V = 2095.9(4) Å3, Z = 4. Crystal structure of 1 reveals a syn-anti carboxylate-bridged dinuclear complex, in which the coordination environment around each copper atom exhibits a distorted square-pyramid. Magnetic susceptibility measurement for 1 exhibits a weak intermolecular antiferromagnetic exchange interaction with 2J = −1.17(9) cm−1. The cyclic voltammogram of 1 gives one oxidation and two reduction processes. 相似文献
18.
Na Xu Yan Ou-Yang Dai-Zheng Liao Zong-Hui Jiang Shi-Ping Yan Peng Cheng 《Journal of chemical crystallography》2006,36(9):581-585
A novel tetrachlorophthalato-Yb(III) complex [Yb(tcph)(H2O)7]Htcph·H2tcph·H2O (1) (H2tcph=tetrachlorophthalic acid) has been synthesized and characterized by the single crystal X-ray diffraction analysis. Colorless crystals of 1 crystallize in the triclinic space group P-1, with a=6.8504(5) ?, b=16.1921(12) ?, c=19.0123(14) ? and α=67.4470(10)°, β=86.5290(10)°, γ=81.6480(10)°, V=2.113 g/cm3 and Z=2. Unique reflections with I > 2σ(I) on refinement afford values of R
1=0.0219 and wR
2=0.0565. 相似文献
19.
Abstract 7,4′-bis-(hydroxyl)-8,3′,5′-tris-(hydroxymethyl)isoflavone (I) and its ester were synthesized and examined by IR, element
analysis and 1H NMR. The crystal of 7,4′-bis-(acetyl oxide)-8,3′,5′-tris-(acetoxymethyl)isoflavone (II) was studied by X-ray diffraction.
(II) crystallizes in the monoclinic with space group P2
1
/c. a = 17.987(3) ?, b = 17.972(3) ?, c = 8.4087(11) ?, β = 97.703(3)°, V = 2693.7(6) ?3 and Z = 4. The molecular structure of the ester consists of a benzopyranone moiety, a phenyl moiety, two acetyl oxides and three
acetoxymethyl groups. Hydrogen bonds and aromatic stacking interactions link the ester into a two-dimensional structure.
Index Abstract 7,4′-bis-(hydroxyl)-8,3′,5′-tris-(hydroxymethyl)isoflavone and its ester were synthesized and examined by IR, element analysis
and 1H NMR. The result of the ester’s crystal structure showed that hydrogen bonding and aromatic π–π stacking assemble the ester
into a two-dimensional networking structure.
相似文献
20.
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