scholarly journals The first coordination complex of (5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine with zinc(II) acetate-chloride

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Mariia O. Shyshkina ◽  
Svitlana V Shishkina ◽  
Konstantin S. Ostras ◽  
Nikolay Yu. Gorobets ◽  
Valentyn A. Chebanov ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Nitrogen Atom ◽  
Positive Charge ◽  
Title Complex ◽  
Coordination Complex ◽  
Water Molecules ◽  
Amino Group ◽  
Chlorine Anion ◽  
Bridging Ligand ◽  
Polymeric Chains

The title complex, systematic name catena-poly[[[acetatochloridozinc(II)]-μ-(5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-amine] monohydrate], {[Zn(C2H3O2)Cl(C15H15N5O)]·H2O} n , is the first coordination complex in which the neutral tetrahydrotriazolopyrimidine derivative acts as bridging ligand between two zinc molecules. As a result, polymeric chains of the coordination complex are found. The coordination of the zinc metal atom occurs with the lone pairs of the triazolo nitrogen atom and amino group. The positive charge of the zinc atom is compensated by the chlorine anion and deprotonated acetic acid. The coordination complex exists as a monohydrate in the crystalline phase. The water molecules bind neighbouring polymeric chains by the formation of O—H...O, O—H...Cl and N—H...O hydrogen bonds.

scholarly journals Crystal structure ofcatena-poly[[[triaqua(4-cyanobenzoato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2N:N′] 4-cyanobenzoate]

2015 ◽  
Vol 71 (11) ◽  
pp. m197-m198 ◽  
Author(s):  
Alfredo A. Morales-Tapia ◽  
Raúl Colorado-Peralta ◽  
Angélica M. Duarte-Hernández ◽  
Angelina Flores-Parra ◽  
José María Rivera
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Complex Salt ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Polymeric Complex ◽  
Polymeric Chains

In the title polymeric complex salt, {[Ni(C8H4NO2)(C10H8N2)(H2O)3](C8H4NO2)}n, the NiIIcation is coordinated by a 4-cyanobenzoate anion, two 4,4′-bipyridine ligands and three water molecules in a distorted N2O4octahedral geometry. The 4,4′-bipyridine ligands bridge the NiIIcations to form polymeric chains of the title complex cations, propagating along thec-axis direction. The dihedral angle between the pyridine rings of the 4,4′-bipyridine ligand is 24.9 (6)°. In the crystal, the uncoordinating 4-cyanobenzoate anions link with the complex cationsviaO—H...O hydrogen bonds into a three-dimensional supramolecular architecture. Weak C—H...O, C—H...N interactions and π–π stacking [centroid-to-centroid distances = 3.566 (4) and 3.885 (4) Å] are also observed in the crystal.

scholarly journals Crystal structure of poly[[di-μ2-aqua-aquasodium] 4-amino-3,5,6-trichloropyridine-2-carboxylate trihydrate], the sodium salt of the herbicide picloram

2015 ◽  
Vol 71 (8) ◽  
pp. 931-933
Author(s):  
Graham Smith
Keyword(s):  
Sodium Salt ◽  
Three Dimensional ◽  
Chain Structure ◽  
Title Complex ◽  
Dimensional Structure ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Amino Group ◽  
Trigonal Bipyramidal ◽  
Hydrogen Bonding Interactions

In the structure of the title complex, {[Na(H2O)3](C6H2Cl3N2O2)·3H2O}n, the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ2-aqua-bridged NaO5trigonal–bipyramidal complex units which have, in addition, a singly bonded water molecule. Each of the bridges within the chain, which extends parallel to theaaxis, is centrosymmetric, with Na...Na separations of 3.4807 (16) and 3.5109 (16) Å. In the crystal, there are three water molecules of solvation and these, as well as the coordinating water molecules and the amino group of the 4-amino-3,5,6-trichloropicolinate anion, are involved in extensive inter-species hydrogen-bonding interactions with carboxyl and water O atoms, as well as the pyridine N atom. Among these associations is a centrosymmetric cyclic tetrawaterR44(8) motif, resulting in an overall three-dimensional structure.

scholarly journals Crystal structure of a TbIII–CuII glycinehydroxamate 15-metallacrown-5 sulfate complex

2021 ◽  
Vol 77 (12) ◽  
pp. 1-0
Author(s):  
Anna V. Pavlishchuk ◽  
Inna V. Vasylenko ◽  
Matthias Zeller ◽  
Anthony W. Addison
Keyword(s):  
Positive Charge ◽  
Title Complex ◽  
Water Molecules ◽  
Inversion Center ◽  
Coordination Environment ◽  
Sulfate Anion ◽  
The Core ◽  
Square Planar ◽  
Coordinated Water ◽  
Oxygen Atoms

The core of the title complex, bis[hexaaquahemiaquapentakis(μ3-glycinehydroxamato)sulfatopentacopper(II)terbium(III)] sulfate hexahydrate, [TbCu5(SO4)(GlyHA)5(H2O)6.5]2(SO4)·6H2O (1), which belongs to the 15-metallacrown-5 family, consists of five glycinehydroxamate dianions (GlyHA2−; C2H4N2O2) and five copper(II) ions linked together forming a metallamacrocyclic moiety. The terbium(III) ion is connected to the centre of the metallamacrocycle through five hydroxamate oxygen atoms. The coordination environment of the Tb3+ ion is completed to an octacoordination level by oxygen atoms of a bidentate sulfate and an apically coordinated water molecule, while the copper(II) atoms are square-planar, penta- or hexacoordinate due to the apical coordination of water molecules. Continuous shape calculations indicate that the coordination polyhedron of the Tb3+ ion in 1 is best described as square antiprismatic. The positive charge of each pair of [TbCu5(GlyHA)5(H2O)6.5(SO4)]2 2+ fragments is compensated by a non-coordinated sulfate anion, which is located on an inversion center with 1:1 disordered oxygen atoms. Complex 1 is isomorphous with the previously reported compounds [LnCu5(GlyHA)5(SO4)(H2O)6.5]2(SO4), where Ln III = Pr, Nd, Sm, Eu, Gd, Dy and Ho.

catena-Poly[[diaquazinc(II)]-μ-2,2′-bipyridine-3,3′-dicarboxyato-κ4 N,N′:O,O′]

2007 ◽  
Vol 63 (11) ◽  
pp. m2857-m2857
Author(s):  
Lu Lu ◽  
Jun Wang ◽  
Bao-Zhong Zhao ◽  
Feng-Chun Zeng
Keyword(s):  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Title Complex ◽  
Water Molecules ◽  
One Dimensional ◽  
Twofold Axis ◽  
Bridging Ligand ◽  
Distorted Octahedral ◽  
Coordinated Water ◽  
Zn Ions

In the title complex, [Zn(C12H6N2O4)(H2O)2] n , the Zn atom, located on a twofold axis, is six-coordinated in a distorted octahedral arrangement, with two N atoms and two O atoms of two symmetry-related 2,2′-bipyridine-3,3′-dicarboxyate (dcbp) ligands located in the equatorial plane, while the two O atoms of the water molecules occupy the axial positions. The dcbp ligand acts as a bridging ligand, linking adjacent Zn ions and forming a one-dimensional infinite chain parallel to the b axis. O—H...O hydrogen bonds involving the coordinated water molecules connect adjacent chains to form layers parallel to the (001) plane.

Unique Tetradentate Coordination of 2,2′-Bipyridyl-3,3′-Dicarboxylate (bpdc). Hydrothermal Synthesis and Crystal Structure of A Novel Polymeric Supramolecule [Co(bpdc)(H2O)2]n

2003 ◽  
Vol 56 (4) ◽  
pp. 335 ◽  
Author(s):  
Ben-Lai Wu ◽  
Hong-Quan Zhang ◽  
Hong-Yun Zhang ◽  
Qing-An Wu ◽  
Hong-Wei Hou ◽  
...  
Keyword(s):  
Title Complex ◽  
Water Molecules ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Pyridyl Nitrogen ◽  
Intermolecular Hydrogen Bonds ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Polymeric Chains ◽  
Hydrothermal Methods

The title complex has been synthesized using hydrothermal methods and its structure determined by X-ray diffraction. It consists of polymeric chains of [Co(bpdc)(H2O)2] units (bpdc = 2,2′-bipyridyl-3,3′-dicarboxylate) which are linked by intermolecular hydrogen bonds to form two-dimensional layer-shaped supramolecules. Each bpdc ligand bridges two cobalt(II) centers in a rare tetradentate fashion through its two pyridyl nitrogen atoms chelating to one cobalt and two carboxyl oxygen atoms to the other in the equatorial plane. The octahedral coordination of cobalt is completed by two axial water molecules.

Utilization of electrical charges in the pores of tofu waste for hydrogen production in water

2020 ◽  
pp. 124-135
Author(s):  
I. N. G. Wardana ◽  
N. Willy Satrio
Keyword(s):  
Magnetic Field ◽  
Hydrogen Production ◽  
Sodium Bicarbonate ◽  
Positive Charge ◽  
Electrical Energy ◽  
Hydrogen Sensor ◽  
Water Molecules ◽  
Partial Charge ◽  
Delocalized Electron ◽  
Water Hydrogen

Tofu is main food in Indonesia and its waste generally pollutes the waters. This study aims to change the waste into energy by utilizing the electric charge in the pores of tofu waste to produce hydrogen in water. The tofu pore is negatively charged and the surface surrounding the pore has a positive charge. The positive and negative electric charges stretch water molecules that have a partial charge. With the addition of a 12V electrical energy during electrolysis, water breaks down into hydrogen. The test was conducted on pre-treated tofu waste suspension using oxalic acid. The hydrogen concentration was measured by a MQ-8 hydrogen sensor. The result shows that the addition of turmeric together with sodium bicarbonate to tofu waste in water, hydrogen production increased more than four times. This is due to the fact that magnetic field generated by delocalized electron in aromatic ring in turmeric energizes all electrons in the pores of tofu waste, in the sodium bicarbonate, and in water that boosts hydrogen production. At the same time the stronger partial charge in natrium bicarbonate shields the hydrogen proton from strong attraction of tofu pores. These two combined effect are very powerful for larger hydrogen production in water by tofu waste.

The effect of partial methylation of the glycine amino group on crystal structure inN,N-dimethylglycine and its hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o283-o287 ◽  
Author(s):  
Vasily S. Minkov ◽  
Elena V. Boldyreva
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Partial Methylation ◽  
Space Groups ◽  
Carboxylate Groups ◽  
Anhydrous Compound ◽  
Additional Hydrogen

N,N-Dimethylglycine, C4H9NO2, and its hemihydrate, C4H9NO2·0.5H2O, are discussed in order to follow the effect of the methylation of the glycine amino group (and thus its ability to form several hydrogen bonds) on crystal structure, in particular on the possibility of the formation of hydrogen-bonded `head-to-tail' chains, which are typical for the crystal structures of amino acids and essential for considering amino acid crystals as mimics of peptide chains. Both compounds crystallize in centrosymmetric space groups (PbcaandC2/c, respectively) and have twoN,N-dimethylglycine zwitterions in the asymmetric unit. In the anhydrous compound, there are no head-to-tail chains but the zwitterions formR44(20) ring motifs, which are not bonded to each other by any hydrogen bonds. In contrast, in the crystal structure ofN,N-dimethylglycinium hemihydrate, the zwitterions are linked to each other by N—H...O hydrogen bonds into infiniteC22(10) head-to-tail chains, while the water molecules outside the chains provide additional hydrogen bonds to the carboxylate groups.

Intercalation Processes in Cobalt Substituted Nickel Oxyhydroxides

1990 ◽  
Vol 210 ◽  
Author(s):  
Claude Delmas
Keyword(s):  
Ir Spectroscopy ◽  
Mechanical Treatment ◽  
Positive Charge ◽  
Van Der Waals ◽  
The Other ◽  
Hydrolysis Reaction ◽  
Water Molecules ◽  
Layered Oxides ◽  
Experimental Conditions ◽  
Cobalt Ions

AbstractChimie douce reactions (hydrolysis and reduction) from layered oxides : NaNiO2, NaxCoO2 and NaNil-xCoxO2 lead to numerous oxyhydroxides and hydroxides which differ by the composition of the intersheet space.According to the experimental conditions of the hydrolysis reaction, the oxyhydroxides can be unhydrated or intercalated with one or two layers of water molecules. From the most hydrated phases, the other ones can be obtained by chemical, thermal and even mechanical treatment.The reduction of Co-substituted nickel oxyhydroxides leads to hydroxides in which nickel and cobalt ions are respectively divalent and trivalent. In order to compensate the excess of positive charge in the (Ni, Co)O2 sheet, anions (OH-, CO32-, SO42-, NO3-) are inserted in the Van der Waals gap.For the highest anion amounts, well ordered α*-type materials are obtained. Water molecules are simultaneously inserted in the interslab space. Their structure is strongly related to the hydrotalcite one. When the amouit of anions in the intersheet space is not sufficient, interstratified materials are obtained. In this case the (Ni,Co)(OH)2 slabs are separated by a layer of CO32- anions and water molecules (α*-type) or by an empty Van der Waals gap (β(II)-type). The amount of α*-type planes in the structure increases with the cobalt amount. All these materials have been characterized by IR spectroscopy which allows to detect the existence of two types of O-H bonds (free in α*-type plane or hydrogen bonded in ²(II)-type plane).

scholarly journals Bis[μ-1,3-bis(1H-imidazol-1-yl)propane-κ2N3:N3′]bis(dichloridozinc) dihydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m184-m184
Author(s):  
Xiao-Juan Wang ◽  
Yun-Long Feng
Keyword(s):  
Zinc Complex ◽  
Complex Molecule ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Tetrahedral Coordination ◽  
Lattice Water ◽  
Bridging Ligand ◽  
Cl Atoms ◽  
Distorted Tetrahedral Coordination

The title hydrated complex, [Zn2Cl4(C9H12N4)2]·2H2O, is a discrete dinuclear zinc complex with 1,3-bis(1H-imidazol-1-yl)propane as the bridging ligand. The complex molecule lies about a crystallographic inversion centre. The ZnIIatom exhibits a distorted tetrahedral coordination geometry defined by two imidazole N atoms and two Cl atoms. O—H...Cl hydrogen bonding between the lattice water molecules and the terminal Cl atoms of the molecule lead to a two-dimensional structure extending parallel to (100).

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