scholarly journals Diaquabis(ethylenediamine-κ2N,N′)copper(II) bis(sulfamerazinate)

2014 ◽  
Vol 70 (6) ◽  
pp. m222-m223
Author(s):  
Amani Direm ◽  
Wahiba Falek ◽  
Guillaume Pilet ◽  
Nourredine Benali-Cherif
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Basal Plane ◽  
Building Blocks ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Teller Distortion ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion

The asymmetric unit of the title compound, [Cu(C2H8N2)2(H2O)2](C11H11N4O2S)2, contains one sulfamerazinate anion in a general position and one half-cation that is located on a center of inversion. The CuIIcation shows a strong Jahn–Teller distortion. It is coordinated by four N atoms of two ethylenediamine ligands in the basal plane and two O atoms at much longer distances in the axial positions in a bipyramidal coordination. In the crystal, the building blocks are connected by N—H...N, O—H...N, N—H...O and O—H...O hydrogen bonding into a two-dimensional network parallel to (001).

The crystal chemistry of duftite, PbCuAsO4(OH) and the β-duftite problem

1998 ◽  
Vol 62 (1) ◽  
pp. 121-130 ◽  
Author(s):  
Kharisun ◽  
Max R. Taylor ◽  
D. J. M Bevan ◽  
Allan Pring
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Chemistry ◽  
Three Dimensional ◽  
The Other ◽  
Orthorhombic Space Group ◽  
Teller Distortion ◽  
Modulated Structure ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion

AbstractDuftite, PbCu(AsO4)(OH) is orthorhombic, space group P212121 with a = 7.768(1), b = 9. 211(1), c = 5.999(1) Å, Z = 4; the structure has been refined to R = 4.6% and Rw = 6.5% using 640 observed reflections [F> 2σ(F)]. The structure consists of chains of edge-sharing CuO6 ‘octahedra’, parallel to c; which are linked via AsO4 tetrahedra and Pb atoms in distorted square antiprismatic co-ordination to form a three dimensional network. The CuO6 ‘octahedra’ show Jahn-Teller distortion with the elongation running approximately along <627>. The hydrogen bonding network in the structure was characterized using bond valence calculations. ‘β-duftite’ is an intermediate in the duftite-conichalcite series, which has a modulated structure based on the intergrowth of the two structures in domains of approximately 50 Å. The origin of the modulation is thought to be associated with displacements in the oxygen lattice and is related to the orientation of the Jahn-Teller distortion of CuO6 ‘octahedra’. Approximately half of the strips show an elongation parallel to <627> while the other strips are elongated parallel to [010]. This ordering results in an increase in the b cell repeat compared to duftite and conichalcite.

The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [M(en)3](OAc)2 (M is Mn, Fe, Co, Ni, Cu, and Zn)

2017 ◽  
Vol 73 (6) ◽  
pp. 442-446 ◽  
Author(s):  
Duyen N. K. Pham ◽  
Mrittika Roy ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Transition Metal ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Teller Distortion ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Cu And Zn

The crystal structures of the first-row transition-metal series of tris(ethylenediamine-κ2 N,N′)metal(II) diacetate, [M(C2H8N2)3](CH3CO2)2, with M = Mn, Fe, Co, Ni, Cu, and Zn, are reported. The complexes are all isostructural, crystallizing in a centrosymmetric triclinic cell and possessing an asymmetric unit composed of one [M(en)3]2+ cation and two symmetrically independent acetate anions. In the unit cell, the two complex cations are inversion-generated enantiomers, possessing the energetically favoured Δ(λλλ) and Λ(δδδ) configurations. The complex cations and acetate anions combine through a series of N—H...O hydrogen bonds to generate a three-dimensional network in the crystals. The other notable feature of the series is a significant Jahn–Teller distortion for the d 9 Cu2+ complex.

Jahn-Teller Effect in Hexahydroxocuprate(II) Complexes

1995 ◽  
Vol 60 (9) ◽  
pp. 1429-1434
Author(s):  
Martin Breza
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Potential Surface ◽  
Hydroxyl Group ◽  
Chemical Calculation ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Extremal Values ◽  
Jahn Teller Distortion

Using semiempirical CNDO-UHF method the adiabatic potential surface of 2[Cu(OH)6]4- complexes is investigated. The values of vibration and vibronic constants for Eg - (a1g + eg) vibronic interaction attain extremal values for the optimal O-H distance. The Jahn-Teller distortion decreases with increasing O-H distance. The discrepancy between experimentally observed elongated bipyramid of [Cu(OH)6]4- in Ba2[Cu(OH)6] and the compressed one obtained by quantum-chemical calculation is explainable by hydrogen bonding of the axial hydroxyl group.

scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

scholarly journals Dimethylammonium tetraaqua(hydrogensulfato)sulfatocuprate(II)

2014 ◽  
Vol 70 (4) ◽  
pp. m119-m119 ◽  
Author(s):  
Peter Held
Keyword(s):  
Hydrogen Bonds ◽  
Complex Anion ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Teller Distortion ◽  
Jahn Teller ◽  
Jahn Teller Distortion

In the title salt, [(CH3)2NH2][Cu(HSO4)(SO4)(H2O)4], one type of cation and anion is present in the asymmetric unit. The CuIIatom in the complex anion, [Cu(HSO4)(SO4)(H2O)4]−, has a tetragonal bipyramidal [4 + 2] coordination caused by a Jahn–Teller distortion, with the aqua ligands in equatorial and two O atoms of tetrahedral HSO4and SO4units in apical positions. Both types of ions form sheets parallel to (010). The interconnection within and between the sheets is reinforced by O—H...O and N—H...O hydrogen bonds, respectively, involving the water molecules, the two types of sulfate anions and the ammonium groups.

scholarly journals (3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2014 ◽  
Vol 70 (3) ◽  
pp. o279-o280
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
R. Ranjith Kumar ◽  
V. Jeyachandran ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent molecules (A,B,CandD), with two molecules (BandD) displaying disorder in their methylsulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in moleculesA,B,CandD, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44 (1), 81.21 (1), 88.18 (8) and 73.94 (1)° for moleculesA,B,CandD, respectively. A weak intramolecular O—H...O interaction is observed in moleculesBandC. The two hydroxy groups in each molecule are involved in intermolecular O—H...O hydrogen bonding. In the crystal, molecules are connectedviaO—H...O and C—H...O hydrogen bonds, forming a complex three-dimensional network.

A novel two-dimensional cadmium(II) complex: poly[diaquatris(μ4-cyclohexane-1,4-dicarboxylato)bis[2-(pyridin-4-yl)-1H-benzimidazole]tricadmium(II)

2015 ◽  
Vol 71 (5) ◽  
pp. 369-373 ◽  
Author(s):  
Xiu-Hong Yang ◽  
Ming-Xing Yang ◽  
Li-Juan Chen ◽  
Jing Guo ◽  
Shen Lin
Keyword(s):  
Water Molecule ◽  
Title Compound ◽  
Aqua Ligand ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Dimensional Network ◽  
Rotationally Symmetric ◽  
Coordinated Water

The title compound, [Cd3(C8H10O4)3(C12H9N3)2(H2O)2]nor [Cd3(chdc)3(4-PyBIm)2(H2O)2]n, was synthesized hydrothermally from the reaction of Cd(CH3COO)2·2H2O with 2-(pyridin-4-yl)-1H-benzimidazole (4-PyBIm) and cyclohexane-1,4-dicarboxylic acid (1,4-chdcH2). The asymmetric unit consists of one and a half CdIIcations, one 4-PyBIm ligand, one and a half 1,4-chdc2−ligands and one coordinated water molecule. The central CdIIcation, located on an inversion centre, is coordinated by six carboxylate O atoms from six 1,4-chdc2−ligands to complete an elongated octahedral coordination geometry. The two terminal rotationally symmetric CdIIcations each exhibits a distorted pentagonal–bipyramidal geometry, coordinated by one N atom from 4-PyBIm, five O atoms from three 1,4-chdc2−ligands and one O atom from an aqua ligand. The 1,4-chdc2−ligands possess two conformations,i.e.e,e-trans-chdc2−ande,a-cis-chdc2−. Thecis-1,4-chdc2−ligands bridge the CdIIcations to form a trinuclear {Cd3}-based chain along thebaxis, while thetrans-1,4-chdc2−ligands further link adjacent one-dimensional chains to construct an interesting two-dimensional network.

scholarly journals 1,1′-Biphenyl-2,2′,5,5′-tetracarboxylic acid

IUCrData ◽  
2016 ◽  
Vol 1 (8) ◽  
Author(s):  
Yan-Hong Li ◽  
Li-Ping Lu
Keyword(s):  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Tetracarboxylic Acid ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C16H10O8or H4bptc, the dihedral angle between the planes of the phenyl rings is 51.90 (4)°. The asymmetric unit contains one half-molecule; complete molecules are generated by a twofold rotation axis. In the crystal, O—H...O and C—H...O hydrogen-bonding generate a two-dimensional supramolecular network. In addition, weak π–π interactions are also observed.

scholarly journals Crystal structure of an organic–inorganic supramolecular salt based on a 4,4′-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium) cation and a β-octamolybdate anion

2016 ◽  
Vol 72 (2) ◽  
pp. 124-127 ◽  
Author(s):  
Tatiana R. Amarante ◽  
Isabel S. Gonçalves ◽  
Filipe A. Almeida Paz
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, bis[4,4′-methylenebis(3,5-dimethyl-1H-pyrazol-2-ium)] β-octamolybdate, (C11H18N4)2[Mo8O26] or (H4mbdpz)2[Mo8O26], is composed of an H4mbdpz2+cation and half of the β-octamolybdate anion which is completed by inversion symmetry. The organic molecular units are engaged in a series of N—H...O hydrogen bonds with neighbouring anions, with N...O distances and N—H...O angles in the ranges 2.730 (2)–2.941 (2) Å and 122–166°, respectively. These interactions lead to the formation of a supramolecular two-dimensional network parallel to the (010) plane.

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