scholarly journals Tetraammonium μ-ethylenediaminetetraacetato-1κ3 O,N,O′:2κ3 O′′,N′,O′′′-bis[trioxidotungstate(VI)] tetrahydrate

IUCrData ◽  
2021 ◽  
Vol 6 (9) ◽  
Author(s):  
Lamine Yaffa ◽  
Sérigne Fallou Pouye ◽  
Daouda Ndoye ◽  
Waly Diallo ◽  
Mayoro Diop ◽  
...  
Keyword(s):  
Ethylenediaminetetraacetic Acid ◽  
Three Dimensional ◽  
Tungstic Acid ◽  
Central Metal Atom ◽  
Central Metal ◽  
Tungsten Atom ◽  
Carboxylate Groups ◽  
Carbon Carbon Bond ◽  
Counter Ions ◽  
Distorted Octahedral

The title compound, (NH4)4[W2(C10H12N2O8)O6]·4H2O, was obtained from a mixture of tungstic acid, ammonia and ethylenediaminetetraacetic acid (H4edta) in a 2:4:1 ratio. The anion of the complex contains two WO3 units and one bridging edta4− ligand. Each central metal atom is tridentately coordinated by nitrogen and two carboxylate groups of the edta4− ligand, together with the three oxido ligands, producing a distorted octahedral coordination environment around each tungsten atom. The center of the carbon–carbon bond of the ethylene bridge represents a crystallographic inversion center. The crystal structure consists of a three-dimensional supramolecular framework built up by the dinuclear cations, the ammonium counter-ions and the solvent water molecules via hydrogen bonds of the N—H...O and O—H...O type.

A three-dimensional polycatenation framework:catena-poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ2-naphthalene-2,6-dicarboxylato]

2013 ◽  
Vol 69 (9) ◽  
pp. 1022-1025 ◽  
Author(s):  
Cui-Lian Guo ◽  
Xiao-Qiang Yao ◽  
Yong-Qiang Cheng ◽  
Yan Liu
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
One Dimensional ◽  
Pyridine Ligands ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
The Stability ◽  
Coordinated Water

In the title compound, [Ni(C12H6O4)(C22H16N2O)2(H2O)2]n, the Ni2+cation resides on a centre of inversion in a slightly distorted octahedral [N2O4] environment. The two carboxylate groups of each naphthalene-2,6-dicarboxylate (NDC2−) ligand, which reside on centres of inversion, link the NiIIcations into a one-dimensional chain. Identical chains are linked by intermolecular hydrogen bonds between coordinated water molecules and the uncoordinated N atoms of 4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine ligands to form (4,4)-topological sheets, and then the different sheets are interlocked in an inclined fashion to give a three-dimensional polycatenation network. The stability of the structure is further enhanced by π–π stacking interactions between pyridine and benzene rings.

scholarly journals catena-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m402-m403
Author(s):  
Yun-Xia Hu ◽  
Yan Zhou ◽  
Fang-Ming Wang ◽  
Wen-Wei Zhang
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
Interchain Interactions

The polymeric title compound, {[Co(C15H9NO4S)(H2O)3]·H2O}n, consists of chains along [001] made up from Co2+ions bridged by 10-methylphenothiazine-3,7-dicarboxylate anions. The Co2+ion, coordinated by three O atoms from two different carboxylate groups and three water molecules, displays a distorted octahedral environment. In the crystal, π–π interchain interactions, with centroid–centroid distances of 3.656 (2) and 3.669 (2) Å between the benzene rings of the ligands, assemble the chains into sheets parallel to (100). O—H...O hydrogen-bonding interactions between the coordinating water molecules and carboxylate O atoms link the sheets into a three-dimensional network.

scholarly journals Crystal structure of tetrakis[μ-2-(methoxycarbonyl)benzoato-κ2 O 1:O 1′]bis[(N,N-dimethylformamide-κO)copper(II)](Cu—Cu) dimethylformamide disolvate

2018 ◽  
Vol 74 (5) ◽  
pp. 691-694 ◽  
Author(s):  
Jinglin Wang ◽  
Feng Su ◽  
Lili Shi
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Aromatic Rings ◽  
Coordination Environment ◽  
Face To Face ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Jahn Teller ◽  
Solvent Molecules ◽  
Distorted Octahedral Coordination Environment

The title compound, [Cu2(C9H7O4)4(C3H7NO)2]·2C3H7NO, crystallizes in the monoclinic P21/c space group, with the binuclear copper unit occupying a special position on an inversion center, i.e. the asymmetric unit of the crystal consists of one CuII ion, two 2-(methoxycarbonyl)benzoate ligands, and two DMF molecules (one coordinated and one solvate). The binuclear complex displays a paddle-wheel-shaped structure with the two copper atoms being in a Jahn–Teller-distorted octahedral coordination environment. Each 2-(methoxycarbonyl)benzoate substituent acts as a bridging ligand and links two Cu atoms with a Cu—Cu distance of 2.633 (1) Å. The carboxylate groups of the 2-(methoxycarbonyl)benzoate ligands adopt bidentate syn–syn bridging modes, with dihedral angles between the carboxylate planes and the aromatic rings of 18.427 (4) and 43.029 (6)°. In the crystal, adjacent DMF molecules coordinated to copper atoms are arranged in a mutual `head-to-tail' manner by offset face-to-face π–π stacking interactions, resulting in chains along the c-axis direction. The planes of the coordinated DMF molecules are parallel to each other, the distance between them being 3.33 (1) Å. A three-dimensional structure is assembled from the chains by weak C—H...O and C—H...π intermolecular interactions involving the DMF solvent molecules. One of the methyl ester groups is disordered over two sites with an occupancy ratio of 0.751 (12):0.249 (12).

A polymeric cobalt(II) complex derived from citric acid (H4cit) and 2,6-diaminopurine (dap): {[Co4(cit)2(dap)4(H2O)4]·6.35H2O}n

2013 ◽  
Vol 69 (3) ◽  
pp. 212-215 ◽  
Author(s):  
Ana María Atria ◽  
José Parada ◽  
Maria Teresa Garland ◽  
Ricardo Baggio
Keyword(s):  
Three Dimensional ◽  
Charge Balance ◽  
Strongly Coupled ◽  
Twofold Axis ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Main Fragment ◽  
Hydroxy Groups ◽  
Mode Of Coordination

Poly[[tetraaquadi-μ4-citrato-tetrakis(2,6-diaminopurine)tetracobalt(II)] 6.35-hydrate], {[Co4(C6H4O7)2(C5H6N6)4(H2O)4]·6.35H2O}n, presents three different types of CoIIcations in the asymmetric unit, two of them lying on symmetry elements (one on an inversion centre and the other on a twofold axis). The main fragment is further composed of one fully deprotonated citrate (cit) tetraanion, two 2,6-diaminopurine (dap) molecules and two aqua ligands. The structure is completed by a mixture of fully occupied and disordered solvent water molecules. The two independent dap ligands are neutral and the cit tetraanion provides for charge balance, compensating the 4+ cationic charge. There are two well defined coordination geometries in the structure. The simplest is mononuclear, with the CoIIcation arranged in a regular centrosymmetric octahedral array, coordinated by two aqua ligands, two dap ligands and two O atoms from the β-carboxylate groups of the bridging cit tetraanions. The second, more complex, group is trinuclear, bisected by a twofold axis, with the metal centres coordinated by two cit tetraanions through their α- and β-carboxylate and α-hydroxy groups, and by two dap ligands bridging through one of their pyridine and one of their imidazole N atoms. The resulting coordination geometry around each metal centre is distorted octahedral. Both groups are linked alternately to each other, defining parallel chains along [201], laterally interleaved and well connectedviahydrogen bonding to form a strongly coupled three-dimensional network. The compound presents a novel μ4-κ5O:O,O′:O′,O′′,O′′′:O′′′′ mode of coordination of the cit tetraanion.

scholarly journals Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ2 O 1:O 1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Mavlonbek A. Ziyaev ◽  
Jamshid M. Ashurov ◽  
Alisher G. Eshimbetov ◽  
Bakhtiyar T. Ibragimov
Keyword(s):  
Three Dimensional ◽  
Free Ligand ◽  
Dimensional Structure ◽  
Aromatic Rings ◽  
Binuclear Copper ◽  
Coordination Environment ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
Solvate Molecule

The title compound, [Cu2(C7H4NO4)4(C3H7NO)2]·(C3H7NO)2, is a binuclear copper(II) complex located on an inversion center midway between the two copper(II) cations. The asymmetric unit consists of one CuII cation, two 3-nitrobenzoato ligands, and two dimethylformamide (DMF) molecules, one of which coordinates to the CuII cation and one is a solvate molecule. The carboxylate groups of the ligands bridge two CuII cations with a Cu—Cu distance of 2.6554 (6) Å, completing a distorted octahedral O5Cu coordination environment. The dihedral angles between the carboxylate and the aromatic ring planes of the two independent ligands are different from one another, viz. 5.2 (3) and 23.9 (3)°. The three-dimensional structure is consolidated by weak C—H...O interactions and stabilized by π–π stacking interactions between the aromatic rings. The complex and the free ligand were further characterized by Fourier-transform infrared spectroscopy (FT–IR), and the energies of the frontier molecular orbitals of the complex were determined by DFT calculations at the B3LYP/def2-TZVP level of theory.

scholarly journals Crystal structure, electrochemical and spectroscopic investigation of mer-tris[2-(1H-imidazol-2-yl-κN 3)pyrimidine-κN 1]ruthenium(II) bis(hexafluoridophosphate) trihydrate

2018 ◽  
Vol 74 (7) ◽  
pp. 874-877 ◽  
Author(s):  
Naheed Bibi ◽  
Renan Barrach Guerra ◽  
Luis Enrique Santa Cruz Huamaní ◽  
André Luiz Barboza Formiga
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Three Dimensional ◽  
Bidentate Ligand ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Hydrogen Atoms ◽  
Counter Ions ◽  
Ligand Charge Transfer ◽  
Distorted Octahedral

The crystal structure of the title compound, [Ru(C7H6N4)3](PF6)2·3H2O, a novel RuII complex with the bidentate ligand 2-(1H-imidazol-2-yl)pyrimidine, comprises a complex cation in the meridional form exclusively, with a distorted octahedral geometry about the ruthenium(II) cation. The Ru—N bonds involving imidazole N atoms are comparatively shorter than the Ru—N bonds from pyrimidine because of the stronger basicity of the imidazole moiety. The three-dimensional hydrogen-bonded network involves all species in the lattice with water molecules interacting with both counter-ions and NH hydrogen atoms from the complex. The supramolecular structure of the crystal also shows that two units of the complex bind strongly through a mutual N—H...N bond. The electronic absorption spectrum of the complex displays an asymmetric band at 421 nm, which might point to the presence of two metal-to-ligand charge-transfer (MLCT) bands. Electrochemical measurements show a quasi-reversible peak referring to the RuIII/RuII reduction at 0.87 V versus Ag/AgCl.

scholarly journals Synthesis, crystal structure and magnetic properties of poly[[diaqua{μ6-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate]

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Jie Ma ◽  
Wen-Zhi Zhang ◽  
Yong Liu ◽  
Wen-Tao Yi
Keyword(s):  
Title Compound ◽  
Magnetic Measurements ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Intermolecular Hydrogen Bonds ◽  
Water Solvent ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Solvent Molecules

The asymmetric unit of the polymeric title compound {[Co2(C12H7NO8)(H2O)2]·1.6H2O} n comprises two CoII ions, which are coordinated by fully deprotonated 2-aminodiacetic terephthalic acid (adtp4–) and terminal water molecules in distorted octahedral N1O5 and O6 coordination environments. The title compound features tetranuclear CoII units bridged by κ 3 O:O:O′- and κ 3 O:O,O′-carboxylate groups, which are joined into ribbons via syn–anti carboxylate bridges. The parallel adtp4– ligands with an alternately reversed arrangement further link adjacent CoII ribbons into (010) layers, which are assembled into a three-dimensional supramolecular network via intermolecular hydrogen bonds. The disordered water solvent molecules are situated in channels parallel to [100]. Magnetic measurements and analyses reveal that the title compound displays antiferromagnetic behaviour. The purity of the title compound was characterized by X-ray powder diffraction.

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.

scholarly journals Biologically active new Fe(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes of N-(2-thienylmethylene)methanamine

2008 ◽  
Vol 73 (4) ◽  
pp. 415-421 ◽  
Author(s):  
C. Spînu ◽  
M. Pleniceanu ◽  
C. Tigae
Keyword(s):  
Schiff Base ◽  
Metal Chelates ◽  
Biologically Active ◽  
Planar Geometry ◽  
Central Metal Atom ◽  
Central Metal ◽  
Tetrahedral Geometry ◽  
Susceptibility Data ◽  
Distorted Octahedral ◽  
Elemental Analyses

Iron(II), cobalt(II), nickel (II), copper (II), zinc(II) and cadmium(II) complexes of the type ML2Cl2, where M is a metal and L is the Schiff base N- -(2-thienylmethylene)methanamine (TNAM) formed by the condensation of 2- -thiophenecarboxaldehyde and methylamine, were prepared and characterized by elemental analysis as well as magnetic and spectroscopic measurements. The elemental analyses suggest the stoichiometry to be 1:2 (metal:ligand). Magnetic susceptibility data coupled with electronic, ESR and M?ssbauer spectra suggest a distorted octahedral structure for the Fe(II), Co(II) and Ni(II) complexes, a square-planar geometry for the Cu(II) compound and a tetrahedral geometry for the Zn(II) and Cd(II) complexes. The infrared and NMR spectra of the complexes agree with co-ordination to the central metal atom through nitrogen and sulphur atoms. Conductance measurements suggest the non-electrolytic nature of the complexes, except for the Cu(II), Zn(II) and Cd(II) complexes, which are 1:2 electrolytes. The Schiff base and its metal chelates were screened for their biological activity against Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the metal chelates were found to possess better antibacterial activity than that of the uncomplexed Schiff base.

scholarly journals Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetraaquatrinitratoneodymium(III) with 3-amino-1,2,4-triazine

2018 ◽  
Vol 74 (9) ◽  
pp. 1309-1313
Author(s):  
Ramalingam Sangeetha ◽  
Kasthuri Balasubramani ◽  
Savaridasson Jose Kavitha ◽  
Madhukumar Hemamalini
Keyword(s):  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Water Molecules ◽  
Central Metal Atom ◽  
Central Metal ◽  
Nitrate Ions ◽  
Coordinated Water

In the title compound, [Nd(NO3)3(H2O)4]·3C3H4N4, neodymium is ten-coordinate with a distorted bicapped square-antiprismatic geometry formed from six O atoms from three nitrate ions and four O atoms from four coordinated water molecules. The structure also contains neutral 3-amino-1,2,4-triazine molecules which are not coordinated to the central metal atom. The coordinated water molecules and nitrate ions of adjacent complexes are linked by O—H...O hydrogen bonds to form cyclic R 2 2(8) ring motifs, which in turn are further connected via hydrogen bonds to generate a sheet-like structure. The triazine molecules are involved in a number of hydrogen-bonding interactions: N—H...N and O—H...N interactions to form R 3 3(9) motifs and N—H...N interactions to link the organic molecules into chains. Weak C—H...O hydrogen bonds also occur between triazine molecules and coordinated nitrate atoms. All these intermolecular contacts contribute to the stabilization of the three-dimensional supramolecular framework. Hirshfeld surface analysis shows that N...H/H...N and H...H interactions account for 42.9 and 20.6% of the surface, respectively.

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