scholarly journals Bis(μ2-benzoato-κ2 O,O′)bis(benzoato-κO)bis(ethanol-κO)bis(μ3-hydroxido)hexakis(μ-pyrazolato-κ2 N,N′)hexacopper(II) ethanol disolvate

IUCrData ◽  
2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Marisol Ledezma-Gairaud ◽  
Leslie W. Pineda
Keyword(s):  
Hydrogen Bonding ◽  
Solvent Molecule ◽  
The Other ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Square Planar ◽  
Supramolecular Arrangements

Trinuclear copper–pyrazolate entities are present in various Cu-based enzymes and nanojar supramolecular arrangements. The reaction of copper(II) chloride with pyrazole (pzH) and sodium benzoate (benzNa) assisted by microwave radiation afforded a neutral centrosymmetric hexanuclear copper(II) complex, [Cu6(C7H5O2)4(OH)2(C3H3N2)6(C2H5OH)2]·2C2H5OH. Half a molecule is present in the asymmetric unit that comprises a [Cu3(μ3-OH)(pz)3]2+ core with the copper(II) atoms arranged in an irregular triangle. The three copper(II) atoms are bridged by an O atom of the central hydroxyl group and by three bridging pyrazolate ligands on each of the sides. The carboxylate groups show a chelating mode to one and a bridging syn,syn mode to the other two CuII atoms. The coordination environment of one CuII atom is square-planar while it is distorted square-pyramidal for the other two. Two ethanol molecules are present in the asymmetric unit, one binding to one of the CuII atoms, one as a solvent molecule. In the crystal, stabilization arises from intermolecular O—H...O hydrogen-bonding interactions.

scholarly journals Di-μ-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-κ2C3,P]palladium(II)} dichloromethane disolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m86-m86 ◽  
Author(s):  
Cedric W. Holzapfel ◽  
Bernard Omondi
Keyword(s):  
Palladium Complex ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Square Planar ◽  
Cl Atoms

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdIIatoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdIIatom and a cyclometallated four-membered ring. The Pd2Cl2unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

scholarly journals Crystal structure of bis(μ2-4-tert-butyl-2-formylphenolato)-1:2κ3O1,O2:O1;3:4κ3O1,O2:O1-bis(4-tert-butyl-2-formylphenolato)-2κ2O1,O2;4κ2O1,O2-di-μ3-methoxido-1:2:3κ3O;1:3:4κ3O-di-μ2-methoxido-1:4κ2O;2:3κ2O-tetracopper(II)

2015 ◽  
Vol 71 (3) ◽  
pp. 324-326
Author(s):  
Bernhard Eberhard Christian Bugenhagen ◽  
Marc Heinrich Prosenc
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Title Compound ◽  
Coordination Environment ◽  
Dinuclear Copper ◽  
Tert Butyl ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The structure of the title compound, [Cu4(CH3O)4(C11H13O2)4], consists of dimeric dinuclear copper(II) complexes oriented around a centre of inversion. Within each dinuclear fragment, the two CuIIatoms are in a distorted square-planar coordination sphere. Two neighbouring fragments are linked by four apical Cu—O contacts, yielding an overall square-pyramidal coordination environment for each of the four CuIIatoms. The molecules are arranged in layers parallel to (101). Non-classical C—H...O hydrogen-bonding interactions are observed between the layers.

scholarly journals (2,2′-Bipyridine-κ2N,N′)bis(4-formylbenzoato-κO1)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1062-m1063 ◽  
Author(s):  
Jin-li Qi ◽  
Wei Xu
Keyword(s):  
Hydrogen Bonding ◽  
Rotation Axis ◽  
Planar Geometry ◽  
Carboxylate Group ◽  
Two Dimensional ◽  
Complex Molecules ◽  
Bipy Ligand ◽  
Hydrogen Bonding Interactions ◽  
Carboxylate Groups ◽  
Square Planar

The title mononuclear CuIIcomplex, [Cu(C8H5O3)2(C10H8N2)], is comprised of a CuIIcation, two 4-formylbenzoate (L−) ligands and a 2,2′-bipyridine (bipy) ligand. The CuIIion and bipy ligand lie on a crystallographic twofold rotation axis; the CuIIion is coordinated by two N atoms from one bipy ligand and two O atoms from two different carboxylate groups of twoL−ligands, exhibiting effectively a distorted square-planar geometry. The complex molecules are interlinked to generate two-dimensional supramolecular layers in theabplane, formed by C—H...O hydrogen bonds, where the O acceptor is the O atom from the carboxylate group not involved in coordination to the CuIIion. The two-dimensional layers are stacked in a sequenceviaC—H...O hydrogen-bonding interactions where the formyl O atom acts as acceptor.

scholarly journals (η6-Benzene)(carbonato-κ2O,O′)[dicyclohexyl(naphthalen-1-ylmethyl)phosphane-κP]ruthenium(II) chloroform trisolvate

2014 ◽  
Vol 70 (7) ◽  
pp. m272-m273
Author(s):  
Saravanan Gowrisankar ◽  
Helfried Neumann ◽  
Anke Spannenberg ◽  
Matthias Beller
Keyword(s):  
Hydrogen Bonding ◽  
Metal Complex ◽  
Room Temperature ◽  
Crystal Packing ◽  
The Other ◽  
Asymmetric Unit ◽  
Carbonate Group ◽  
Acta Cryst ◽  
Hydrogen Bonding Interactions ◽  
Solvent Molecules

The title compound, [Ru(CO3)(η6-C6H6){(C6H11)2P(CH2C10H7)}]·3CHCl3, was synthesized by carbonation of [RuCl2(η6-C6H6){(C6H11)2P(CH2C10H7)}] with NaHCO3in methanol at room temperature. The RuIIatom is surrounded by a benzene ligand, a chelating carbonate group and a phosphane ligand in a piano-stool configuration. The crystal packing is consolidated by C—H...O and C—H...Cl hydrogen-bonding interactions between adjacent metal complexes and between the complexes and the solvent molecules. The asymmetric unit contains one metal complex and three chloroform solvent molecules of which only one was modelled. The estimated diffraction contributions of the other two strongly disordered chloroform solvent molecules were substracted from the observed diffraction data using the SQUEEZE procedure inPLATON[Spek (2009).Acta Cryst.D65, 148–155].

Poly[tetraamminecopper(II) bis[tris(μ2-cyanido-κ2C,N)dicuprate(I)]]: a unique CuI–CuIImixed-valence complex containing anionic cuprous cyanide layers and [Cu(NH3)4]2+cations

2012 ◽  
Vol 68 (2) ◽  
pp. m45-m47 ◽  
Author(s):  
Li-Na Jia ◽  
Lei Hou
Keyword(s):  
Hydrogen Bonding ◽  
Mixed Valence ◽  
Planar Geometry ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Anionic Layer ◽  
Cuprous Cyanide ◽  
Cyanide Ligands

The title compound, {[Cu(NH3)4][Cu(CN)3]2}n, features a CuI–CuIImixed-valence CuCN framework based on {[Cu2(CN)3]−}nanionic layers and [Cu(NH3)4]2+cations. The asymmetric unit contains two different CuIions and one CuIIion which lies on a centre of inversion. Each CuIion is coordinated to three cyanide ligands with a distorted trigonal–planar geometry, while the CuIIion is ligated by four ammine ligands, with a distorted square-planar coordination geometry. The interlinkage between CuIions and cyanide bridges produces a honeycomb-like {[Cu2(CN)3]−}nanionic layer containing 18-membered planar [Cu(CN)]6metallocycles. A [Cu(NH3)4]2+cation fills each metallocyclic cavity within pairs of exactly superimposed {[Cu2(CN)3]−}nanionic layers, but there are no cations between the layers of adjacent pairs, which are offset. Pairs of N—H...N hydrogen-bonding interactions link the N—H groups of the ammine ligands to the N atoms of cyanide ligands.

scholarly journals Poly[diaqua(μ5-1H-imidazole-4,5-dicarboxylato)(μ4-1H-imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]

2012 ◽  
Vol 68 (8) ◽  
pp. m1073-m1074
Author(s):  
Si-Ming Zhu
Keyword(s):  
Hydrogen Bonding ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Trigonal Prismatic Coordination ◽  
Trigonal Prismatic

The asymmetric unit of the title compound, [Ag3Yb(C5HN2O4)2(H2O)2]n, contains three AgIions, one YbIIIion, two imidazole-4,5-dicarboxylate ligands and two coordinating water molecules. The YbIIIatom is eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxylate ligands and two coordinating water molecules. The two-coordinated AgIions exhibit three types of coordination environments. One AgIatom is bonded to two N atoms from two different imidazole-4,5-dicarboxylate ligands. The other two AgIatoms are each coordinated by one O atom and one N atom from two different imidazole-4,5-dicarboxylate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxylate ligands, generating a two-dimensional heterometallic layer. These layers are stacked along theaaxisviaO—H...O hydrogen-bonding interactions to generate a three-dimensional framework.

scholarly journals [1,2-Bis(diisopropylphosphanyl)ethane-κ2 P,P′](2-fluoro-N-{[(2-fluorophenyl)azanidyl]carbonyl}anilinido-κ2 N,N′)nickel(II)

IUCrData ◽  
2020 ◽  
Vol 5 (5) ◽  
Author(s):  
Marcos Flores-Alamo ◽  
Francisco J. Perez-Ortiz ◽  
Alma Arevalo ◽  
Juventino J. Garcia
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Title Complex ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Derivatives Of

The molecular structure of the title complex, [Ni(C13H8F2N2O)(C14H32P2)] or Ni(oFPU)(dippe), where oFPU is the dianion of bis(2-fluorophenyl)urea and dippe is 1,2-bis(di-isopropylphosphino)ethane, comprises an NiII atom with a distorted square-planar coordination environment (geometry index τ4 = 0.195). One of the fluorophenyl rings of the oFPU ligand is disordered over two sets of sites in an 0.832 (7):0.168 (7) ratio. The crystal structure displays C—H...O and C—H...F hydrogen-bonding interactions, leading to chains with R 2 2(12) motifs extending parallel to [100]. The title compound might be of interest with respect to the production of urea and carbamate derivatives of nickel(II).

scholarly journals Diisopropylammonium (3,6-dichlorobenzene-1,2-dithiolato)cuprato(III) tetrahydrofuran monosolvate

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Jesús Barrio ◽  
Esther Delgado ◽  
Diego Hernández ◽  
Elisa Hernández ◽  
Josefina Perles ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Compound C ◽  
Square Planar

The asymmetric unit of the title compound, (C6H16N)[Cu(C6H2Cl2S2)2]·C4H8O, comprises a [Cu(SC6H2Cl2S)2]−anion, an [iPr2NH2]+cation and a solvent tetrahydrofuran molecule. The CuIIIatom has an almost square-planar CuS4coordination environment. In the crystal, the anion and the solvent molecule are linkedviaN—H...O and N—H...S hydrogen bonds involving the diisopropylammonium cation. There are no other significant intermolecular interactions present.

scholarly journals Crystal structure of tetrakis(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II)–isonicotinamide–ethanol (1/2/1)

2016 ◽  
Vol 72 (8) ◽  
pp. 1077-1080 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one CoIIcation, two thiocyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent molecule. The CoIIcations are octahedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thiocyanate anions. These discrete complexes are linked by intermolecular N—H...O and N—H...S hydrogen-bonding interactions into a three-dimensional network. The two isonicotinamide and the ethanol solvent molecules are embedded in channels of this network and are linked through further N—H...O and N—H...N hydrogen bonds to the network. The ethanol solvent molecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

scholarly journals Bis(dimethylamine-κN)bis[4-(1,2,4-triazol-1-yl)benzoato-κO]copper(II)

IUCrData ◽  
2022 ◽  
Vol 7 (1) ◽  
Author(s):  
Lin Liu ◽  
Zheng-Bo Han
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Triazole Ring ◽  
Inversion Center ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Amine Function

In the title compound, [Cu(C9H6N3O2)2(C2H7N)2], the Cu2+ cation is situated on an inversion center and is coordinated by the N atoms of two dimethylamine ligands and the carboxylate O atoms of two 4-(1,2,4-triazol-1-yl)benzoate anions, leading to a slightly distorted square-planar N2O2 coordination environment. In the crystal, intermolecular N—H...N hydrogen bonds between the amine function and the central N atom of the triazole ring lead to the formation of ribbons parallel to [1\overline{1}1]. Weak intermolecular C—H...O hydrogen-bonding interactions are also observed that consolidate the crystal packing.

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