catena-Poly[[nickel(II)-μ2-[1,3-bis(imidazol-1-ylmethyl)benzene-κ2N3:N3′]-μ2-(5-carboxybenzene-1,3-dicarboxylato-κ4O1,O1′:O3,O3′)] 0.41-hydrate]

2012 ◽  
Vol 68 (12) ◽  
pp. m336-m339 ◽  
Author(s):  
Xiao-Dan Wang ◽  
Guang-Feng Hou ◽  
Ying-Hui Yu ◽  
Jin-Sheng Gao
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Triangular Prism ◽  
Supramolecular Framework ◽  
Bidentate Ligands ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

The title compound, {[Ni(C9H4O6)(C14H14N4)]·0.41H2O}n, exhibits a three-dimensional hydrogen-bonded supramolecular framework. The NiIIcation is six-coordinated in a distorted triangular prism defined by two N atoms from two 1,3-bis(imidazol-l-ylmethyl)benzene (bix) ligands and four O atoms from two 5-carboxybenzene-1,3-dicarboxylate (HBTC) dianions. The bix molecules and HBTC dianions both act as bidentate ligands, linking the NiIIcations to form a one-dimensional coordination polymer. A two-dimensional wave-like net is constructed by O—H...O hydrogen bonds linking adjacent chains. Partially occupied solvent water molecules fill the cavities and link these layers to form a three-dimensional supramolecular structureviaO—H...O hydrogen bonds. The title compound was also characterized by powder X-ray diffraction and thermogravimetric analysis.

A one-dimensional silver(I) coordination polymer based on 5-methyl-1,3,4-thiadiazol-2-amine and pyridine-2,3-dicarboxylate

2017 ◽  
Vol 73 (6) ◽  
pp. 498-502
Author(s):  
Wei-Wei Fu ◽  
Juan Li ◽  
Shu-Ting Liu ◽  
Dan Zhao ◽  
Xue Zhou ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Binding Modes ◽  
Supramolecular Framework ◽  
X Ray Diffraction ◽  
Tetrahedral Geometry ◽  
One Dimensional ◽  
X Ray ◽  
The One

The bifunctional pyridine-2,3-dicarboxylic acid (H2pdc) ligand has one N atom and four O atoms, which could bind more than one AgI centre with diverse binding modes. A novel infinite one-dimensional AgI coordination polymer, namely catena-poly[[silver(I)-(μ2-pyridine-2,3-dicarboxylato-κ2 N:O 3)-silver(I)-tris(μ2-5-methyl-1,3,4-thiodiazol-2-amine-κ2 N:N′)] monohydrate ethanol monosolvate], {[Ag2(C7H3NO4)(C3H5N3S)3]·H2O·C2H5OH} n , has been synthesized using H2pdc and 5-methyl-1,3,4-thiadiazol-2-amine (tda), and characterized by single-crystal X-ray diffraction. One AgI atom is located in a four-coordinated AgN4 tetrahedral geometry and the other AgI atom is in a tetrahedral AgN3O geometry. A dinuclear AgI cluster formed by three tda ligands with a paddelwheel configuration is bridged by the dianionic pdc2− ligand into a one-dimensional coordination polymer. Interchain N—H...O hydrogen bonds extend the one-dimensional chains into an undulating two-dimensional sheet. The sheets are further packed into a three-dimensional supramolecular framework by interchain N—H...O hydrogen bonds.

A one-dimensional heterometallic coordination polymer with a three-dimensional supramolecular framework: poly[μ2-aqua-diaqua(2,2′-bipyridyl)(μ5-2-sulfonatobutanedioato)copper(II)sodium(I)]

2012 ◽  
Vol 68 (8) ◽  
pp. m209-m212 ◽  
Author(s):  
Jiang-Hong Fu ◽  
Yu-Ling Wang ◽  
Ying Chen ◽  
Chang-Hui Hu ◽  
Li Tang
Keyword(s):  
Title Compound ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Supramolecular Framework ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
Coordinated Water ◽  
Thermal Stability Of

The title compound, [CuNa(C4H3O7S)(C10H8N2)(H2O)3]n, consists of one CuIIcation, one NaIcation, one 2-sulfonatobutanedioate trianion (SSC3−), one 2,2′-bipyridyl (bpy) ligand and three coordinated water molecules as the building unit. The coordination of the CuIIcation is composed of two pyridyl N atoms, one water O atom and two carboxylate O atoms in a distorted square-pyramidal coordination geometry with an axial elongation. The NaIcation is six-coordinated by three water molecules and three carboxylate O atoms from three SSC3−ligands in a distorted octahedral geometry. Two SSC3−ligands link two CuIIcations to form a Cu2(SSC)2(bpy)2macrocyclic unit lying across an inversion centre, which is further linked by NaIcationsviaNa—O bonds to give a one-dimensional chain. Interchain hydrogen bonds link these chains to form a two-dimensional layer, which is further extended into a three-dimensional supramolecular framework through π–π stacking interactions. The thermal stability of the title compound has also been investigated.

scholarly journals Synthesis, Structures and Electrochemical Properties of Lithium 1,3,5-Benzenetricarboxylate Complexes

Polymers ◽  
2019 ◽  
Vol 11 (1) ◽  
pp. 126 ◽  
Author(s):  
Pei-Chi Cheng ◽  
Bing-Han Li ◽  
Feng-Shuen Tseng ◽  
Po-Ching Liang ◽  
Chia-Her Lin ◽  
...  
Keyword(s):  
Electrochemical Properties ◽  
Electrode Materials ◽  
Three Dimensional ◽  
Lithium Ion ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Crystal Transformation ◽  
Discharge Capacities

Four lithium coordination polymers, [Li3(BTC)(H2O)6] (1), [Li3(BTC)(H2O)5] (2), [Li3(BTC)(μ2-H2O)] (3), and [Li(H2BTC)(H2O)] (4) (H3BTC = 1,3,5-benzenetricarboxylatic acid), have been synthesized and characterized. All the structures have been determined using single crystal X-ray diffraction studies. Complexes 1 and 2 have two-dimensional (2-D) sheets, whereas complex 3 has three-dimensional (3-D) frameworks and complex 4 has one-dimensional (1-D) tubular chains. The crystal-to-crystal transformation was observed in 1–3 upon removal of water molecules, which accompanied the changes in structures and ligand bridging modes. Furthermore, the electrochemical properties of complexes 3 and 4 have been studied to evaluate these compounds as electrode materials in lithium ion batteries with the discharge capacities of 120 and 257 mAhg−1 in the first thirty cycles, respectively.

A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ4O2,N,O6:O6′;κ4O2:O2′,N,O6-bis[(azido-κN)(1,10-phenanthroline-κ2N,N′)bismuth(III)] tetrahydrate

2014 ◽  
Vol 70 (6) ◽  
pp. 562-565 ◽  
Author(s):  
Wei Zhang ◽  
Yu-Quan Feng
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Coordination Compound ◽  
Photoelectron Spectroscopy ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray

A novel dinuclear bismuth(III) coordination compound, [Bi2(C7H3NO4)2(N3)2(C12H8N2)2]·4H2O, has been synthesized by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR, X-ray photoelectron spectroscopy and single-crystal X-ray diffraction. The molecular structure consists of one centrosymmetric dinuclear neutral fragment and four water molecules. Within the dinuclear fragment, each BiIIIcentre is seven-coordinated by three O atoms and four N atoms. The coordination geometry of each BiIIIatom is distorted pentagonal–bipyramidal (BiO3N4), with one azide N atom and one bridging carboxylate O atom located in axial positions. The carboxylate O atoms and water molecules are assembledviaO—H...O hydrogen bonds, resulting in the formation of a three-dimensional supramolecular structure. Two types of π–π stacking interactions are found, with centroid-to-centroid distances of 3.461 (4) and 3.641 (4) Å.

A one-dimensional coordination polymer with a three-dimensional supramolecular framework:catena-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ3-4,4′-sulfonyldibenzoato] trihydrate]

2013 ◽  
Vol 69 (3) ◽  
pp. 241-243 ◽  
Author(s):  
Jun Wang ◽  
Jian-Qing Tao ◽  
Xiao-Juan Xu ◽  
Chun-Yun Tan
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Polymeric Compound ◽  
Chain Polymer ◽  
One Dimensional ◽  
X Ray ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Coordination Patterns

In the title mixed-ligand metal–organic polymeric compound, {[Cd(C14H8O6S)(C16H16N2)]·3H2O}n, the asymmetric unit contains a crystallographically unique CdIIatom, one doubly deprotonated 4,4′-sulfonyldibenzoic acid (H2SDBA) ligand, one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and three solvent water molecules. Each CdIIcentre is six-coordinated by two O atoms from a chelating carboxylate group of a SDBA2−ligand, two O atoms from monodentate carboxylate groups of two different SDBA2−ligands and two N atoms from a chelating TMPHEN ligand. There are two coordination patterns for the carboxylate groups of the SDBA2−ligand, with one in a μ1-η1:η1chelating mode and the other in a μ2-η1:η1bis-monodentate mode. Single-crystal X-ray diffraction analysis revealed that the title compound is a one-dimensional double-chain polymer containing 28-membered rings based on the [Cd2(CO2)2] rhomboid subunit. More interestingly, a chair-shaped water hexamer cluster is observed in the compound.

Synthesis, Crystal Structure, and Spectral Characterization of Novel Three-dimensional Supramolecular Networks with One-dimensional Channels Based on Keggin-type Polyoxoanions and Mixed-Valence Dibenzotetrathiafulvalenes

2007 ◽  
Vol 62 (2) ◽  
pp. 195-199 ◽  
Author(s):  
Dongmei Shi ◽  
Haijun Pang ◽  
Fanxia Meng ◽  
Yu Sun ◽  
Kun Liu ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Three Dimensional ◽  
Radical Cations ◽  
Water Molecules ◽  
Supramolecular Network ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Keggin Type ◽  
Supramolecular Networks

A new organic/inorganic salt formed by mixed-valence dibenzotetrathiafulvalene (DBTTF) radical cations and the spherical Keggin-type polyoxometalate anions [H3BW12O40]2− was obtained by electrochemical oxidation of the donor in an acetonitrile and a 1,2-dichloroethane solution containing the polyanion. The compound has been characterized by X-ray diffraction, elemental analysis, EPR, IR and Raman spectroscopy. X-Ray diffraction experiments have revealed that the compound consists of heteropolyanions, water molecules and DBTTF radical cations. The organic radicals form trimers and dimers via π-π stacking; moreover, the polyoxoanions and the organic donors are also held together by hydrogen bonding interactions. In their packing arrangement, a three-dimensional supramolecular network with one-dimensional channels along the b axis is established with uncoordinated water molecules residing in the channels.

scholarly journals catena-Poly[[diaquabis[1,4-bis(pyridin-4-yl)buta-1,3-diyne-κN]iron(II)]-μ-cyanido-κ2N:C-[dicyanido-κ2C-platinum(II)]-μ-cyanido-κ2C:N]

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Lucia Piñeiro-López ◽  
Francisco Javier Valverde-Muñoz ◽  
Maksym Seredyuk ◽  
Kateryna Znovjyak
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
One Dimensional ◽  
Polymeric Chains ◽  
The One

The molecular structure of the title compound, [FePt(CN)4(C14H8N2)2(H2O)2]n, consists of one-dimensional polymeric [–Fe–NC–Pt(CN)2–CN–]∞chains. Two water molecules and two monodentate 1,4-bis(pyridin-4-yl)buta-1,3-diyne (bpb) ligand molecules complete the octahedral coordination sphere of the FeIIatoms. The Fe—N(py) bond length (py is pyridine) is 2.2700 (15) Å, Fe—N(cyanide) is 2.1185 (16) Å and the Fe—O distance is 2.1275 (14) Å. The water molecules are hydrogen bonded to either bpb ligands or cyanide groups of the planar [Pt(CN)4]2−anion of adjacent polymeric chains. These O—H...N hydrogen bonds, in conjunction with offset and tilted π–π stacking interactions between bpb ligands and cyanide groups, extend the one-dimensional chains into a three-dimensional assembly.

Synthesis and crystal structures of a 3-acetylated (20S,24S)-ocotillol-type saponin and its C-24 epimer

2017 ◽  
Vol 73 (6) ◽  
pp. 464-469 ◽  
Author(s):  
Juan Liu ◽  
Yang-Rong Xu ◽  
Xing-Si An ◽  
Gui-Ge Hou ◽  
Qing-Guo Meng
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Dimensional Network ◽  
Crystal Packings ◽  
C Nmr

In order to study the in vivo protective effect on myocardial ischemia, (20S,24R)-epoxydammarane-12β,25-diol, (V), and (20S,24S)-epoxydammarane-12β,25-diol, (VI), were synthesized through a novel synthetic route. Two key intermediates, namely (20S,24R)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, (III) [obtained as the hemihydrate, C32H54O5·0.5H2O, (IIIa), and the ethanol hemisolvate, C32H54O5·0.5C2H5OH, (IIIb), with identical conformations but different crystal packings], and (20S,24S)-3-acetyl-20,24-epoxydammarane-3β,12β,25-triol, C32H54O5, (IV), were obtained during the synthesis. The structures were confirmed by 1H NMR, 13C NMR and HRMS analyses, and single-crystal X-ray diffraction. Molecules of (IIIa) are extended into a two-dimensional network constructed with water molecules linked alternately through intermolecular O—H...O hydrogen bonds, which are further stacked into a three-dimensional network. Compound (IIIb) contains two completely asymmetric molecules, which are linked in a disordered manner through intermolecular C—H...O hydrogen bonds. While the crystal stacks in compound (IV) are linked via weak C—H...O hydrogen bonds, the hydrogen-bonded chains extend helically along the crystallographic b axis.

Racemic calcium tartrate tetrahydrate [form (II)] in rat urinary stones

2009 ◽  
Vol 65 (3) ◽  
pp. 350-354 ◽  
Author(s):  
A. Le Bail ◽  
D. Bazin ◽  
M. Daudon ◽  
A. Brochot ◽  
V. Robbez-Masson ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rat Kidney ◽  
Urinary Stones ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Calcium Tartrate ◽  
Network Of Hydrogen Bonds

The title compound, [Ca(C4H4O6)]·4H2O, calcium tartrate tetrahydrate, is a new triclinic centrosymmetric form identified in rat kidney calculus. The crystal structure was determined from powder and single-crystal X-ray diffraction. The four water molecules belong to one square face of the Ca-atom coordination (a square antiprism), the four O atoms of the second square face coming from two tartrate anions, building infinite chains alternating Ca atom polyhedra and tartrate anions along a, with the chains cross-linked by a network of hydrogen bonds.

scholarly journals Crystal structure of the co-crystalfac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3)

2015 ◽  
Vol 71 (4) ◽  
pp. 374-376
Author(s):  
Olesia I. Kucheriv ◽  
Sergii I. Shylin ◽  
Tetiana A. Ilina ◽  
Sebastian Dechert ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Framework

In the crystal of the title compound, [Fe(NCS)3(H2O)3]·3C6H8N2, the FeIIIcation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water molecules in afacarrangement, forming a slightly distorted N3O3octahedron. Stabilization within the crystal structure is provided by O—H...N hydrogen bonds; the H atoms from coordinating water molecules act as donors to the N atoms of guest 2,3-dimethylpyrazine molecules, leading to a three-dimensional supramolecular framework.

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