New Bis-Pyrazole-Bis-Acetate Based Coordination Complexes: Influence of Counter-Anions and Metal Ions on the Supramolecular Structures

A new flexible bis-pyrazol-bis-acetate ligand, diethyl 2,2’-(pyridine-2,6-diylbis (5-methyl-1H-pyrazole-3,1-diyl))diacetate (L), has been synthesised, and three coordination complexes, namely, [Zn(L)2](BF4)2 (1), [MnLCl2] (2) and [CdLCl2] (3) have been obtained. All ligands and complexes were characterised by IR, mass spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction. Single crystal X-ray diffraction experiment revealed that the primary supramolecular building block of 1 is a hexagonal chair shaped 0D hydrogen bonded synthon (stabilised by C–H∙∙∙O hydrogen bonding and C=O∙∙∙π interactions), which further built into a 2D corrugated sheet-like architecture having a 3-c net honeycomb topology, and finally extended to a 3D hydrogen bonded network structure having a five nodal 1,3,3,3,7-c net, through C–H∙∙∙F interactions. On the other hand, the two crystallographically independent molecules of 2 exhibited two distinct supramolecular structures such as 2D hydrogen bonded sheet structure and 1D zigzag hydrogen bonded chain, sustained by C–H∙O and C–H∙∙∙Cl interactions, which are further self-assembled into a 3,4-c network structure, and 3 showed a 2D hydrogen bonded sheet structure. The supramolecular structural diversity in these complexes is due to the different conformations adopted by the ligands, which are mainly induced by different metal ions with coordination environments controlled by different anions. Hirshfeld surface analysis was explored for the qualitative and quantitative analysis of the supramolecular interactions.

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A Mn(II) Metal-Organic Framework Constructed from a Tetrahedral Silicon-Cored Ligand

Applied Mechanics and Materials ◽

10.4028/www.scientific.net/amm.275-277.2367 ◽

2013 ◽

Vol 275-277 ◽

pp. 2367-2370

Author(s):

Qing Yu Ma ◽

Rui Fang Guan ◽

Guo Zhong Li ◽

Deng Xu Wang

Keyword(s):

Single Crystal ◽

Metal Organic Framework ◽

Diffusion Method ◽

X Ray Diffraction ◽

X Ray ◽

Slow Diffusion ◽

Sheet Structure ◽

Metal Organic ◽

1D Chains ◽

Organic Framework

A novel metal-organic framework, MnCl2(BIPS)2•2CH3OH•2H2O (1) were synthesized from MnCl2 and a tetrahedral silicon-cored ligand, Me2Si(p-C6H4-imdazol-1-yl)2 (BIPS) under the slow diffusion method. The structure was determined by single-crystal X-ray diffraction. Complex 1 is a 2D sheet structure constructed from 1D chains with 34-atom metallamacrocycles.

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Adsorption behaviour of a CdII–triazole MOF for butan-2-one in a single-crystal-to-single-crystal (SCSC) fashion: the role of hydrogen bonding and C—H...π interactions

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229619006788 ◽

2019 ◽

Vol 75 (6) ◽

pp. 806-811

Author(s):

Jia Wang ◽

Tianchao You ◽

Teng Wang ◽

Qikui Liu ◽

Jianping Ma ◽

...

Keyword(s):

Hydrogen Bonding ◽

Single Crystal ◽

Specific Binding ◽

Supramolecular Interactions ◽

Adsorption Behaviour ◽

X Ray Diffraction ◽

Guest Molecules ◽

X Ray ◽

Π Interactions ◽

H Nmr

The adsorption behaviour of the CdII–MOF {[Cd(L)2(ClO4)2]·H2O (1), where L is 4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole, for butan-2-one was investigated in a single-crystal-to-single-crystal (SCSC) fashion. A new host–guest system that encapsulated butan-2-one molecules, namely poly[[bis{μ3-4-amino-3,5-bis[3-(pyridin-4-yl)phenyl]-1,2,4-triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate], {[Cd(C24H18N6)2](ClO4)2·1.5C4H8O} n , denoted C4H8O@Cd-MOF (2), was obtained via an SCSC transformation. MOF 2 crystallizes in the tetragonal space group P43212. The specific binding sites for butan-2-one in the host were determined by single-crystal X-ray diffraction studies. N—H...O and C—H...O hydrogen-bonding interactions and C—H...π interactions between the framework, ClO4 − anions and guest molecules co-operatively bind 1.5 butan-2-one molecules within the channels. The adsorption behaviour was further evidenced by 1H NMR, IR, TGA and powder X-ray diffraction experiments, which are consistent with the single-crystal X-ray analysis. A 1H NMR experiment demonstrates that the supramolecular interactions between the framework, ClO4 − anions and guest molecules in MOF 2 lead to a high butan-2-one uptake in the channel.

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Two Interesting One-Dimensional Chainlike Architectures Formed by Substituted Keggin Polyoxoanions and Novel Cobalt - Ethylenediamine Complexes

Australian Journal of Chemistry ◽

10.1071/ch08171 ◽

2008 ◽

Vol 61 (11) ◽

pp. 874 ◽

Cited By ~ 2

Author(s):

Yu Wang ◽

Zhiming Zhang ◽

Enbo Wang ◽

Yanfei Qi ◽

Song Chang

Keyword(s):

Single Crystal ◽

Coordination Complexes ◽

Sodium Ions ◽

X Ray Diffraction ◽

Straight Chain ◽

One Dimensional ◽

X Ray ◽

Sandwich Type

Two novel supported heteropolytungstates, NaH3[CoIII(en)2(OH)SiW11CoIIO39]·9.25H2O 1 (en = ethylenediamine) and [Co(en)2]4[Co4(Hen)2Si2W18O68]·H2en·6H2O 2 have been synthesized and characterized by single-crystal X-ray diffraction, electrochemistry, IR, and thermogravimetry. Compound 1 exhibits an interesting one-dimensional chainlike architecture assembled by bridged sodium ions that support monosubstituted Keggin polyoxoanions. To our knowledge, it represents the first example of a supported structure that consists of monosubstituted Keggin polyoxoanions and a novel interbridged, dinuclear Co metal unit. Compound 2 is constructed from trivacant Keggin polyanions linked through a tetrameric cobalt unit, which coordinates with organonitrogen ligands. Moreover, the sandwich-type polyoxoanions were connected by two [Co(en)2] coordination complexes, respectively, and linked by Co2+ ions into a straight chain.

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Transition metal coordination complexes of chrysazin

CrystEngComm ◽

10.1039/c5ce00792e ◽

2016 ◽

Vol 18 (27) ◽

pp. 5121-5129 ◽

Cited By ~ 3

Author(s):

Patrick J. Beldon ◽

Sebastian Henke ◽

Bartomeu Monserrat ◽

Satoshi Tominaka ◽

Norbert Stock ◽

...

Keyword(s):

Transition Metal ◽

Transition Metals ◽

Single Crystal ◽

Coordination Compounds ◽

Coordination Complexes ◽

Metal Coordination ◽

X Ray Diffraction ◽

X Ray

Eleven novel coordination compounds, composed of chrysazin (1,8-dihydroxyanthraquinone) and different first-row transition metals (Fe, Co, Ni, Cu), were synthesised and the structures determined by single-crystal X-ray diffraction.

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Synthesis, Crystal Structure, and Luminescence of Cadmium(II) and Silver(I) Coordination Polymers Based on 1,3-Bis(1,2,4-triazol-1-yl)adamantane

Molecules ◽

10.3390/molecules26175400 ◽

2021 ◽

Vol 26 (17) ◽

pp. 5400

Author(s):

Roman D. Marchenko ◽

Taisiya S. Sukhikh ◽

Alexey A. Ryadun ◽

Andrei S. Potapov

Keyword(s):

Crystal Structure ◽

Coordination Polymer ◽

Metal Ions ◽

Single Crystal ◽

Diffraction Analysis ◽

Coordination Polymers ◽

Two Dimensional ◽

X Ray Diffraction ◽

One Dimensional ◽

X Ray

Coordination polymers with a new rigid ligand 1,3-bis(1,2,4-triazol-1-yl)adamantane (L) were prepared by its reaction with cadmium(II) or silver(I) nitrates. Crystal structure of the coordination polymers was determined using single-crystal X-ray diffraction analysis. Silver formed two-dimensional coordination polymer [Ag(L)NO3]n, in which metal ions are linked by 1,3-bis(1,2,4-triazol-1-yl)adamantane ligands, coordinated by nitrogen atoms at positions 2 and 4 of 1,2,4-triazole rings. Layers of the coordination polymer consist of rare 18- and 30-membered {Ag2L2} and {Ag4L4} metallocycles. Cadmium(II) nitrate formed two kinds of one-dimensional coordination polymers depending on the metal-to-ligand ratio used in the synthesis. Coordination polymer [Cd(L)2(NO3)2]n was obtained in case of a 1:2 M:L ratio, while for M:L = 2:1 product {[Cd(L)(NO3)2(CH3OH)]·0.5CH3OH}n was isolated. All coordination polymers demonstrated ligand-centered emission near 450 nm upon excitation at 370 nm.

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Novel Cyclometalated Iridium(III) Xanthate Complexes and Their Phosphorescence Behavior in the Presence of Metal Ions

Zeitschrift für Naturforschung B ◽

10.5560/znb.2012-0119 ◽

2012 ◽

Vol 67 (9) ◽

pp. 865-871

Author(s):

Bihai Tong ◽

Yaqing Xu ◽

Jiayan Qiang ◽

Man Zhang ◽

Qunbo Mei ◽

...

Keyword(s):

Quantum Yield ◽

Metal Ions ◽

Single Crystal ◽

Photophysical Properties ◽

Metal Cations ◽

X Ray Diffraction ◽

Red Emission ◽

X Ray ◽

Emission Lifetime ◽

Phosphorescence Quantum Yield

Two cyclometalated iridium(III) complexes, Ir(dpppz)(ppz)(ipx) and Ir(ppz)2(ipx) (dpppzH=1- (2,6-dimethylphenoxy)-4-phenylphthalazine, ppzH=4-phenylphthalazinone, ipx=isopropyl xanthate), have been synthesized and characterized by single-crystal X-ray diffraction. The photophysical properties of the two complexes were also investigated. Ir(dpppz)(ppz)(ipx) shows orange-red emission at around 606 nm with a phosphorescence quantum yield of ca. 0.0032 and an emission lifetime of 188 ns, while Ir(ppz)2(ipx) shows orange-red emission at around 599 nm with a phosphorescence quantum yield of ca. 0.00318 and an emission lifetime of 259 ns. The phosphorescence behavior of Ir(ppz)2(ipx) towards different metal cations has also be studied. Its strong phosphorescence is quenched by Hg2+, Cu2+ and Ag+ cations. The interaction ratio with Hg2+ is 1:1

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The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts

Beilstein Journal of Organic Chemistry ◽

10.3762/bjoc.6.4 ◽

2010 ◽

Vol 6 ◽

Cited By ~ 28

Author(s):

Kari Raatikainen ◽

Massimo Cametti ◽

Kari Rissanen

Keyword(s):

Hydrogen Bonds ◽

Single Crystal ◽

Halogen Bonding ◽

Relative Strength ◽

Supramolecular Interactions ◽

X Ray Diffraction ◽

X Ray ◽

Structural Database ◽

Non Covalent Interactions ◽

Covalent Interactions

The series of haloanilinium and halopyridinium salts: 4-IPhNH3Cl (1), 4-IPhNH3Br (5), 4-IPhNH3H2PO4 (6), 4-ClPhNH3H2PO4 (8), 3-IPyBnCl (9), 3-IPyHCl (10) and 3-IPyH-5NIPA (3-iodopyridinium 5-nitroisophthalate, 13), where hydrogen or/and halogen bonding represents the most relevant non-covalent interactions, has been prepared and characterized by single crystal X-ray diffraction. This series was further complemented by extracting some relevant crystal structures: 4-BrPhNH3Cl (2, CCDC ref. code TAWRAL), 4-ClPhNH3Cl (3, CURGOL), 4-FPhNH3Cl (4, ANLCLA), 4-BrPhNH3H2PO4, (7, UGISEI), 3-BrPyHCl, (11, CIHBAX) and 3-ClPyHCl, (12, VOQMUJ) from Cambridge Structural Database for sake of comparison. Based on the X-ray data it was possible to highlight the balance between non-covalent forces acting in these systems, where the relative strength of the halogen bonding C–X···A− (X = I, Br or Cl) and the ratio between the halogen and hydrogen bonds [C–X···A− : D–H···A−] varied across the series.

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Crystal structure of diammonium aquapentachloroferrate(III)

Australian Journal of Chemistry ◽

10.1071/ch9782717 ◽

1978 ◽

Vol 31 (12) ◽

pp. 2717 ◽

Cited By ~ 29

Author(s):

BN Figgis ◽

CL Raston ◽

RP Sharma ◽

AH White

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Least Squares ◽

Title Compound ◽

X Ray Diffraction ◽

Full Matrix ◽

X Ray ◽

Hydrogen Bonded

The crystal structure of the title compound, (NH4)2 [FeCl5(H2O)], has been redetermined by single-crystal X-ray diffraction at 295 K and refined by full matrix least squares to a residual of 0.054 for 1662 'observed' reflections. Crystals are orthorhombic, Pnma, a 13.706(2), b 9.924(1), c 7.024(1)Ǻ Z 4. Fe-O is 2.110(4)Ǻ; Fe-Cl range between 2.323(1)Ǻ (trans to OH2) and 2.350(1)-2.390(1) Ǻ (cis), the latter distances being very dependent upon hydrogen-bonded interactions with nearby species.

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Coordination Networks with Carborane Anions: Ag(I) and Nitrogen Bridging Ligands

Australian Journal of Chemistry ◽

10.1071/ch05325 ◽

2006 ◽

Vol 59 (1) ◽

pp. 40 ◽

Cited By ~ 41

Author(s):

Luís Cunha-Silva ◽

Ruksanna Ahmad ◽

Michaele J. Hardie

Keyword(s):

Infrared Spectroscopy ◽

Coordination Polymer ◽

Single Crystal ◽

Network Structure ◽

X Ray Diffraction ◽

Coordination Networks ◽

Bridging Ligands ◽

X Ray ◽

1D Coordination Polymer ◽

Carborane Anions

New crystalline coordination networks based on Ag(i) and N-bridging ligands — pyrazine (pyz), 4,4′-bipyridine (bpy), and 2,3-bis-(2-pyridyl)pyrazine (bppz) — incorporating carborane monoanions (CB11H12)− or [Co(C2B9H11)2]− were isolated and characterized using single crystal X-ray diffraction, microanalysis, and infrared spectroscopy. All the complexes with the bpy and bppz ligands reveal 1D coordination infinite chains involving the Ag(i) and the ligands, and layered extended structures with rows of carborane anions between the layers of chains. Interestingly, two polymorphs of the complex [Ag(bpy)(CH3CN)][Co(C2B9H11)2] were observed. The complex [Ag(pyz)(CH3CN)2][Co(C2B9H11)2] shows a 1D coordination polymer, while the pyz complex with the smaller carborane anion {[Ag(pyz)](CB11H12)} exhibits a 3D coordination network structure with four Ag···H−B interactions between the silver centre and carborane anions.

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