Solid-state structure and antimicrobial and cytotoxicity studies of a cucurbit[6]uril-like Cu6 L 4 constructed from 3,5-bis[(1H-tetrazol-5-yl)methyl]-4H-1,2,4-triazol-4-amine

2018 ◽  
Vol 74 (11) ◽  
pp. 1413-1419
Author(s):  
Serhii Vasylevskyi ◽  
Anja Holzheu ◽  
Katharina M. Fromm
Keyword(s):  
Solid State ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
State Structure ◽  
Sulfate Anion ◽  
E Coli ◽  
Cytotoxicity Studies ◽  
Distorted Octahedral ◽  
Sulfate Hydrate ◽  
Coordinated Water

3,5-Bis[(1H-tetrazol-5-yl)methyl]-4H-1,2,4-triazol-4-amine (H2 L) associates under deprotonation with CuSO4 in aqueous medium to form a new waisted barrel-shaped M 6 L 4 cluster, namely hexaaquatetrakis{μ4-3,5-bis[(1H-tetrazol-5-yl)methyl]-4H-1,2,4-triazol-4-amine}-μ4-sulfato-hexacopper(II) sulfate hydrate, [Cu6(SO4)(C6H6N12)4(H2O)6]SO4·nH2O (n = ∼23) (1). Cluster 1 resembles concave cucurbit[6]uril and has one disordered sulfate anion trapped inside the cage, which additionally stabilizes the Cu6 unit. The CuII ions have either a square-pyramidal or a distorted octahedral geometry. The equatorial positions are filled by N atoms from the L 2− ligand, while the axial positions are occupied by coordinated water molecules and O atoms of the sulfate counter-ion. In the solid state, the Cu6 clusters are connected through a large number of hydrogen bonds formed by uncoordinated water molecules and an additional sulfate anion. The compound shows good antimicrobial activity against E. coli tested with the Kirby Bauer approach. In addition, the cell viability towards HeLa and L-929 cells was studied.

scholarly journals Crystal structure ofcatena-poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′] bis(p-toluenesulfonate) methanol disolvate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1977-1980
Author(s):  
Volodymyr M. Hiiuk ◽  
Diana D. Barakhty ◽  
Sergiu Shova ◽  
Ruslan A. Polunin ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Polymeric Complex ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Coordinated Water

In the title polymeric complex, {[Fe(C12H10N2)2(H2O)4](CH3C6H4SO3)2·2CH3OH}n, the FeIIcation, located on an inversion centre, is coordinated by four water molecules in the equatorial positions and two 1,2-bis(pyridin-4-yl)ethene molecules in the axial positions. This results in a distorted octahedral geometry for the [N2O4] coordination polyhedron. The 1,2-bis(pyridin-4-yl)ethene molecules bridge the FeIIcations, forming polymeric chains running along thea-axis direction. Stabilization of the crystal structure is provided by O—H...O hydrogen bonds; these are formed by coordinated water molecules as donors towards the O atoms of the methanol molecules and tosylate anions as acceptors of protons, leading to the formation of a three-dimensional supramolecular network. Weak C—H...O hydrogen bonds are also observed in the crystal.

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.

Diaquabis(5-carboxy-2-methyl-1H-imidazole-4-carboxylato-κ2 N 3,O 4)cadmium(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m753-m755 ◽  
Author(s):  
Xu-Liang Nie ◽  
Hui-Liang Wen ◽  
Zi-Sheng Wu ◽  
Da-Bo Liu ◽  
Chong-Bo Liu
Keyword(s):  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Framework ◽  
Inversion Center ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title compound, [Cd(C6H7N2O5)2], the Cd atom lies on an inversion center and has a slightly distorted octahedral geometry. The equatorial plane contains two bidentate 5-carboxy-2-methyl-1H-imidazole-4-carboxylate monoanionic ligands. Two coordinated water molecules occupy the axial sites. Intermolecular N—H...O hydrogen bonds link the molecules into chains, which are further connected by intermolecular O—H...O hydrogen bonds, resulting in a three-dimensional supramolecular framework.

scholarly journals Poly[[bis(μ-3-amino-5-carboxybenzoato-κ2N:O1)diaquazinc] dihydrate]

2012 ◽  
Vol 68 (8) ◽  
pp. m1088-m1088
Author(s):  
Kou-Lin Zhang ◽  
Ting-Ting Qiu ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Polymeric Compound ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Distorted Octahedral ◽  
Coordinated Water

The ZnIIatom in the title polymeric compound, {[Zn(C8H6NO4)2(H2O)2]·2H2O}n, lies on a center of inversion and is coordinated by two amine N atoms and two carboxylate O atoms from two 3-amino-5-carboxybenzoate anions along with two water molecules in a distorted octahedral geometry. The bridging nature of the anion generates a layer motif parallel to (100). Hydrogen bonds of the N—H...O and O—H...O types exist in the structure. One H atom of the coordinated water molecule and one H atom of the solvent water molecule are each disordered over two positions in a 1:1 ratio.

scholarly journals Two N,N′-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds

2018 ◽  
Vol 74 (8) ◽  
pp. 1049-1053
Author(s):  
Yue-Xin Guo ◽  
Hong-Cui Ma ◽  
Ren Bo ◽  
Ning Zhao ◽  
Li-Gang Zhao ◽  
...  
Keyword(s):  
Self Assembly ◽  
Molecular Structures ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Central Metal Atom ◽  
Central Metal ◽  
Sulfate Anion ◽  
Distorted Octahedral ◽  
Network Of Hydrogen Bonds ◽  
Charge Balancing

The molecular structures of tetraaqua[N,N′-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide]sulfatomanganese(II) dihydrate, [Mn(SO4)(C17H13N5O2)(H2O)4]·2H2O or [Mn(H2 L 1)(SO4)(H2O)4]·2H2O, (I), and tetraaquabis[N,N′-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide]cadmium(II) sulfate tetrahydrate, [Cd(C17H13N5O2)2(H2O)4]SO4·4H2O or [Cd(H2O)4(H2 L 1)2]·SO4·4H2O, (II), both contain a central metal atom in a distorted octahedral geometry coordinated equatorially by four oxygen atoms from water molecules. In (I), the axial positions are occupied by a nitrogen atom from H2 L 1 and an oxygen atom from the sulfate anion, whereas in (II), the axial positions contain two nitrogen atoms from two different H2 L 1 ligands and the sulfate anion acts as the charge-balancing ion. π–π stacking between pyridine rings and a network of hydrogen bonds involving the water molecules and the sulfate anions play a crucial role in the molecular self-assembly of the two structures.

Syntheses, structures and magnetic properties of two mononuclear nickel(II) complexes based on bicarboxylate ligands

2015 ◽  
Vol 70 (7) ◽  
pp. 505-511 ◽  
Author(s):  
Jun-Xia Li ◽  
Zhong-Xiang Du
Keyword(s):  
Magnetic Properties ◽  
Benzoic Acid ◽  
Dicarboxylic Acid ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Distorted Octahedral ◽  
Coordinated Water

AbstractTwo new complexes, [Ni(pydc)(H2O)3] (1) and [Ni(cma)(H2O)3] (2) (H2pydc = pyridine-2,6-dicarboxylic acid, H2cma = 2-(carboxymethoxy)benzoic acid), have been synthesized and structurally characterized. In both compounds, NiII is surrounded by one tridentate chelate dianionic ligand (pydc2ˉ for 1 and cma2ˉ for 2) and three coordinated water molecules in a distorted octahedral geometry (NiNO5 for 1 and NiO6 for 2). The magnetic properties for 1 and 2 have been discussed in detail.

scholarly journals Bis[μ-2-(2-carboxylatophenyl)acetato]-κ3O1,O1′:O2;κ3O2:O1,O1′-bis[aqua(1,10-phenanthroline-κ2N,N′)nickel(II)]

2009 ◽  
Vol 65 (6) ◽  
pp. m681-m681
Author(s):  
Feng Li ◽  
Huifang Zeng ◽  
Zhaowei Yan ◽  
Taohai Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
Dinuclear Unit ◽  
Coordinated Water

The title compound, [Ni2(C9H6O4)2(C12H8N2)2(H2O)2], is isostructural with the ZnIIanalogue. Each NiIIatom is coordinated in a distorted octahedral geometry by three O atoms from two homophthalate anions, one aqua O atom and two 1,10-phenanthroline N atoms. The two NiIIatoms are linked by two bridging homophthalate dianions into a centrosymmetric dinuclear unit. The dinuclear units are linked into one-dimensional ladder-like chains along [100] by O—H...O hydrogen bonds between the coordinated water molecules and one of the O atoms of the carboxylatomethyl group.

scholarly journals Crystal structures oftrans-diaqua(3-R-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (R= benzyl or pyridin-3-ylmethyl)

2019 ◽  
Vol 75 (7) ◽  
pp. 1015-1019 ◽  
Author(s):  
Irina L. Andriichuk ◽  
Liudmyla V. Tsymbal ◽  
Vladimir B. Arion ◽  
Yaroslaw D. Lampeka
Keyword(s):  
Hydrogen Bonding ◽  
Metal Ion ◽  
Macrocyclic Ligand ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Bond Lengths ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Proton Donors ◽  
Coordinated Water

The asymmetric units of the title compounds,trans-diaqua(3-benzyl-1,3,5,8,12-pentaazacyclotetradecane-κ4N1,N5,N8,N12)copper(II) isophthalate monohydrate, [Cu(C16H29N5)(H2O)2](C8H4O4)·H2O, (I), andtrans-diaqua[3-(pyridin-3-ylmethyl)-1,3,5,8,12-pentaazacyclotetradecane-κ4N1,N5,N8,N12]copper(II) isophthalate 0.9-hydrate, [Cu(C15H28N6)(H2O)2](C8H4O4)·0.9H2O, (II) consist of one diaqua macrocyclic cation, one dicarboxylate anion and uncoordinated water molecule(s). In each compound, the metal ion is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the water molecules in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond lengths are significantly shorter than the average axial Cu—O bond lengths [2.020 (9)versus2.495 (12) Å and 2.015 (4)versus2.507 (7) Å for (I) and (II), respectively]. The coordinated macrocyclic ligand in the cations of both compounds adopts the most energetically favorabletrans-III conformation. In the crystals, the complex cations and counter-anions are connectedviahydrogen-bonding interactions between the N—H groups of the macrocycles and the O—H groups of coordinated water molecules as the proton donors and the O atoms of the carboxylate as the proton acceptors. Additionally, as a result of O—H...O hydrogen bonding with the coordinated and water molecules of crystallization, the isophthalate dianions form layers lying parallel to the (\overline{1}01) and (100) planes in (I) and (II), respectively.

scholarly journals Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN3)nickel(II) pentahydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m672-m672 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Pei-Wen Qin ◽  
Shi-Jie Li ◽  
Shi-Wei Hu
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Solvent Water ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Coordinated Water

In the title mononuclear complex, [Ni(C9H4N2O4)(H2O)5]·5H2O, the NiIIatom is six-coordinated by one N atom from a 1H-benzimidazole-5,6-dicarboxylate ligand and by five O atoms from five water molecules and displays a distorted octahedral geometry. Intermolecular O—H...O hydrogen-bonding interactions among the coordinated water molecules, solvent water molecules and carboxyl O atoms of the organic ligand and additional N—H...O hydrogen bonding lead to the formation of a three-dimensional supramolecular network.

scholarly journals 2-Amino-5-chloropyridinium cis-diaquadioxalatochromate(III) sesquihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m824-m825 ◽  
Author(s):  
Ichraf Chérif ◽  
Jawher Abdelhak ◽  
Mohamed Faouzi Zid ◽  
Ahmed Driss
Keyword(s):  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Lattice Water ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Independent Lattice

In the crystal structure of the title compound, (C5H6ClN2)[Cr(C2O4)2(H2O)2]·1.5H2O, the CrIII atom adopts a distorted octahedral geometry being coordinated by two O atoms of two cis water molecules and four O atoms from two chelating oxalate dianions. The cis-diaquadioxalatochromate(III) anions, 2-amino-5-chloropyridinium cations and uncoordinated water molecules are linked into a three-dimensional supramolecular array by O—H...O and N—H...O hydrogen-bonding interactions. One of the two independent lattice water molecules is situated on a twofold rotation axis.

Sign in / Sign up

Export Citation Format

Share Document