Synthesis and crystal structures of bis(imidazolidine-2-thione-κS)bis(thiocyanato-κS)mercury(II) and bis(cyanido)bis(μ2-imidazolidine-2-thione-κS)mercury(II).Hg(CN)2

2017 ◽  
Vol 72 (9) ◽  
pp. 671-676 ◽  
Author(s):  
Muhammad Ashraf Shaheen ◽  
Muhammad Nawaz Tahir ◽  
Sarwat Sabir ◽  
Aneela Anwar ◽  
Anvarhusein A. Isab ◽  
...  
Keyword(s):  
Rotation Axis ◽  
Mercury Atom ◽  
Distorted Octahedral Geometry ◽  
Weakly Bound ◽  
X Ray ◽  
X Ray Crystallography ◽  
Hydrogen Bonding Interactions ◽  
Ir And Nmr Spectroscopy ◽  
Distorted Octahedral ◽  
Cyanide Ligands

AbstractTwo mercury(II) complexes containing imidazolidine-2-thione (Imt) and thiocyanate or cyanide ligands, [Hg(Imt)2(SCN)2] (1) and [Hg(Imt)2(CN)2].Hg(CN)2(2), have been prepared and characterized by IR and NMR spectroscopy and X-ray crystallography. In compound1, the mercury atom is located on a two-fold rotation axis and is coordinated to two thione sulfur atoms of imidazolidine-2-thione (Imt) and to two sulfur atoms of thiocyanate in a distorted tetrahedral mode with the S-Hg-S bond angles in the range of 98.96(3)–148.65(6)°. In2, the mercury atom is hexa-coordinated having a distorted octahedral geometry composed of two cyanide C atoms [Hg-C=2.055(5) Å] and four weakly bound thione S atoms of imidazolidine-2-thione (Imt) [Hg-S=3.1301(13) and 3.1280(13) Å]. One free Hg(CN)2molecule is also present in the crystal. In both complexes, the molecular structure is stabilized by N-H…N and N-H…S hydrogen bonding interactions.

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.

Synthesis, Characterisation and Structural Studies of [Zn(phen)3][Fe(CN)5(NO)]·2H2O·0.25MeOH and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)]·0.5H2O

2003 ◽  
Vol 58 (9) ◽  
pp. 916-921 ◽  
Author(s):  
Amitabha Datta ◽  
Samiran Mitra ◽  
Georgina Rosair
Keyword(s):  
Infrared Spectroscopy ◽  
Thermogravimetric Analysis ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Structural Studies ◽  
Crystal Lattices ◽  
X Ray ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Solvent Molecules

Two new bimetallic complexes [Zn(phen)3][Fe(CN)5(NO)] · 2 H2O · 0.25 MeOH, (1) and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)] · 0.5 H2O, (2), have been isolated (where phen = 1,10-phenanthroline and bipy = bipyridyl) and characterised by X-ray crystallography [as the 2 H2O · 0.25 CH3OH solvate for (1) and hemihydrate for (2)] infrared spectroscopy and thermogravimetric analysis. Substitution of phenanthroline for bipyridyl resulted in a cyano-bridged bimetallic species rather than two discrete mononuclear metal complexes. The bond angles of Fe-N-O were shown to be practically linear for both 1 [179.2(7)°] and 2 [178.3(3)°], and the Zn atoms have distorted octahedral geometry. The solvent molecules in both crystal lattices take part in forming hydrogen-bonded networks.

scholarly journals Dichlorido(η6-p-cymene)[tris(2-cyanoethyl)phosphine]ruthenium(II)

Molbank ◽  
10.3390/m1025 ◽  
2018 ◽  
Vol 2018 (4) ◽  
pp. M1025
Author(s):  
William Henderson ◽  
Ashwin Nair ◽  
Nathan Halcovich ◽  
Edward Tiekink
Keyword(s):  
Mass Spectrometry ◽  
Negative Ions ◽  
Chloride Ion ◽  
Distorted Octahedral Geometry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Mass Spectrometry Study ◽  
Ruthenium Atom ◽  
Distorted Octahedral ◽  
Esi Mass Spectrometry

The tris(2-cyanoethyl)phosphine (tcep) complex [RuCl2{P(CH2CH2CN)3}(η6-p-cymene)] (p-cymene = p-CH3C6H4iPr) was synthesised by the bridge-splitting reaction of the chlorido-dimer [RuCl2(η6-p-cymene)]2 with tcep. The complex was characterised by a single-crystal X-ray structure determination as well as NMR spectroscopy, ESI mass spectrometry, and microelemental analysis. X-ray crystallography shows the ruthenium atom is coordinated by p-cymene in a η6-fashion, two chlorides and the phosphorus atom of the tcep ligand with the donor set defining a distorted octahedral geometry. The ESI mass spectrometry study reveals that the complex readily forms negative ions [M + Cl]− and [2M + Cl]− by association with a chloride ion.

scholarly journals Crystal structure of bis[trans-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data

2015 ◽  
Vol 71 (5) ◽  
pp. 540-543 ◽  
Author(s):  
Dohyun Moon ◽  
Keon Sang Ryoo ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Packing ◽  
Rotation Axis ◽  
Complex Cation ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
The Mean

The structure of the title compound, [Cr(NCS)2(cyclam)]2[ZnCl4] (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit contains two independent halves of the CrIIIcomplex cations and half of a tetrachloridozincate anion. In each complex cation, the CrIIIatom is coordinated by the four N atoms of the cyclam ligand in the equatorial plane and by two N-bound NCS−anions in atransaxial arrangement, displaying a distorted octahedral geometry with crystallographic inversion symmetry. The mean Cr—N(cyclam) and Cr—N(NCS) bond lengths are 2.065 (4) and 1.995 (6) Å, respectively. The macrocyclic cyclam moieties adopt centrosymmetrictrans-III configurations with six- and five-membered chelate rings in chair andgaucheconfigurations, respectively. The [ZnCl4]2−anion, which lies about a twofold rotation axis, has a slightly distorted tetrahedral geometry. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the cyclam ligands, the S atoms of the NCS−groups and the Cl−ligands of the anion.

A three-dimensional ZnII coordination network based on 5,5′-methylenebis(2,4,6-trimethylisophthalic acid) and 2,7-bis(1H-imidazol-1-yl)fluorene: synthesis, structure and luminescence properties

2019 ◽  
Vol 75 (1) ◽  
pp. 8-14 ◽  
Author(s):  
Zhen Chen ◽  
Yanwen Sun ◽  
Zi-an Liu ◽  
Ning Wang ◽  
Xue Yang ◽  
...  
Keyword(s):  
Self Assembly ◽  
Layer Structure ◽  
Three Dimensional ◽  
Luminescence Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Crystallography ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Solvothermal Conditions

In recent years, coordination polymers constructed from multidentate carboxylate ligands and N-containing ligands have attracted much attention since these ligands can adopt a rich variety of coordination modes which can lead to crystalline products with intriguing structures and interesting properties. A new coordination polymer, namely poly[[diaqua[μ-2,7-bis(1H-imidazol-1-yl)fluorene-κ2 N 3:N 3′][μ-5,5′-methylenebis(3-carboxy-2,4,6-trimethylbenzoato)-κ2 O 1:O 1′]zinc(II)] hemihydrate], {[Zn(C23H22O8)(C19H14N4)(H2O)2]·0.5H2O} n , 1, was prepared by the self-assembly of Zn(NO3)2·6H2O with 5,5′-methylenebis(2,4,6-trimethylisophthalic acid) (H4BTMIPA) and 2,7-bis(1H-imidazol-1-yl)fluorene (BIF) under solvothermal conditions. The structure of 1 was determined by elemental analysis, single-crystal X-ray crystallography, powder X-ray diffraction, IR spectroscopy and thermogravimetric analysis. Each ZnII ion is six-coordinated by two O atoms from two H2BTMIPA2− ligands, by two N atoms from two BIF ligands and by two water molecules, forming a distorted octahedral ZnN2O4 coordination geometry. Adjacent ZnII ions are linked by H2BTMIPA2− ligands and BIF ligands, leading to the formation of a two-dimensional (2D) (4,4)-sql network, and intermolecular hydrogen-bonding interactions connect the 2D layer structure into the three-dimensional (3D) supramolecular structure. Each 2D layer contains two kinds of helices with the same direction, which are opposite in adjacent layers. The luminescence properties of complex 1 in the solid state have also been investigated.

Structural and spectral study of coordination of 4,4′-dimethoxy-2,2′-bipyridine toward Zn(II) and Cd(II) containing thiocyanato or azido ligands

2016 ◽  
Vol 71 (9) ◽  
pp. 959-965 ◽  
Author(s):  
Farzin Marandi ◽  
Keyvan Moeini ◽  
Hadi Amiri Rudbari
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
New Compounds ◽  
C Nmr

AbstractThree new compounds of zinc(II) and cadmium(II) with the ligand 4,4′-dimethoxy-2,2′-bipyridine (4,4′-dmo-2,2′-bpy), including cis-[Zn(4,4′-dmo-2,2′-bpy)2(SCN)2] (1), cis-[Cd(4,4′-dmo-2,2′-bpy)2(SCN)2] (2), and [Cd3(4,4′-dmo-2,2′-bpy)3(N3)5(OAc)]n (3), have been obtained as white single crystals by the branched tube method and characterized by elemental analysis, FT-IR and 1H, 13C NMR spectroscopy, and X-ray crystallography. Single-crystal structure analyses of the isostructural complexes 1 and 2 showed distorted octahedral geometry for zinc(II) and cadmium(II) with ZnN6 and CdN6 environments. Complex 3 reveals a rare coordination polymer containing octahedrally coordinated cadmium(II) expanding to chains by two different bridging modes, including Cd‒O‒C‒O‒Cd and Cd‒N‒Cd.

scholarly journals Crystal structure of bis[bis(1,4,7-triazacyclononane-κ3 N,N′,N′′)chromium(III)] tris(tetrachloridozincate) monohydrate from synchrotron X-ray data

2019 ◽  
Vol 75 (4) ◽  
pp. 428-431 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
The Mean ◽  
Cl Atoms

The structure of the title compound, [Cr(tacn)2]2[ZnCl4]3·H2O (tacn is 1,4,7-triazacyclononane; C6H15N3), has been determined from synchrotron X-ray data. Each CrIII cation is coordinated by the six N atoms from the two tacn ligands, displaying a distorted octahedral geometry. Three distorted tetrahedral [ZnCl4]2− anions and one lattice water molecule lie outside this coordination sphere. The Cr—N bond lengths are in the range 2.0621 (11) to 2.0851 (12) Å, while the mean inner N—Cr—N bond angle is 82.51 (5)°. The crystal packing is stabilized by hydrogen-bonding interactions with the N—H groups of the tacn ligands and the water O—H groups acting as donors, and the O atoms of the water molecules and Cl atoms of the [ZnCl4]2− anions as acceptors. Overall these contacts lead to the formation of a three-dimensional network.

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

2009 ◽  
Vol 65 (6) ◽  
pp. m702-m702 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Jie Li ◽  
Pei-Wen Qin ◽  
Shi-Wei Hu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Organic Ligand ◽  
Octahedral Geometry ◽  
Mononuclear Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the title mononuclear complex, [Co(C9H4N2O4)(H2O)5]·5H2O, the CoIIatom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H...O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H...O hydrogen bond is also observed.

scholarly journals Tris(ethylenediamine-κ2N,N′)cadmium hexafluoridogermanate

2012 ◽  
Vol 68 (4) ◽  
pp. m396-m397
Author(s):  
Guo-Ming Wang ◽  
Zeng-Xin Li ◽  
Pei Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Supramolecular Network ◽  
Distorted Octahedral ◽  
Axis Passing

In the title compound, [Cd(C2H8N2)3](GeF6), the CdIIatom, lying on a 32 symmetry site, is coordinated by six N atoms from three ethylenediamine (en) ligands in a distorted octahedral geometry. The Ge atom also lies on a 32 symmetry site and is coordinated by six F atoms. The en ligand has a twofold rotation axis passing through the mid-point of the C—C bond. The F atom is disordered over two sites with equal occupancy factors. In the crystal, the [Cd(en)3]2+cations and [GeF6]2−anions are connected through N—H...F hydrogen bonds, forming a three-dimensional supramolecular network.

Structure and Fluorescence Properties of a Novel Supramolecular Zinc Complex

2008 ◽  
Vol 63 (12) ◽  
pp. 1357-1360 ◽  
Author(s):  
Gang Chen
Keyword(s):  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Free Ligand ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Ligand Complex ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral ◽  
Cell Dimensions

Hydrothermal reaction of Zn(NO3)2 · 6H2O and 2-hydroxypyridine-3-carboxylic acid afforded a novel supramolecular complex, [Zn(C6H4NO3)2(H2O)2] (1). The complex has been characterized by macroanalysis, IR spectra, and thermogravimetric and differential thermal analysis (TG/DTA). Single crystal X-ray analysis shows that complex 1 crystallizes in the monoclinic space group P21/c with the cell dimensions a = 7.534(6), b = 12.289(1), c = 7.534(6) Å, β = 100.51°, V = 685.85(1) Å3, and Z = 2. The six-coordinated Zn atom is in a severely distorted octahedral geometry. The complex molecules are assembled via strong O-H· · ·O and N-H· · ·O hydrogen bonding interactions into a three-dimensional supramolecular framework. Compared with the free ligand, complex 1 exhibits strong fluorescence in the solid state at room temperature.

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