scholarly journals Crystal Structure and Cyclic Voltammetric Studies on the Metal Complexes of N-(Dimethylcarbamothioyl)-4-fluorobenzamide

2018 ◽  
Vol 2018 ◽  
pp. 1-8 ◽  
Author(s):  
Gun Binzet ◽  
Ersan Turunc ◽  
Ulrich Flörke ◽  
Nevzat Külcü ◽  
Hakan Arslan
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Analysis Data ◽  
Complex Compounds ◽  
Planar Geometry ◽  
Cyclic Voltammetric ◽  
Bond Lengths ◽  
H Nmr ◽  
Cyclic Voltammetric Studies ◽  
Oxygen Atoms

We synthesized N-(dimethylcarbamothioyl)-4-fluorobenzamide compound and its copper(II) and nickel(II) complexes. The structures of compounds have been characterized by elemental analysis and spectral data (IR, 1H NMR). Furthermore, crystal and molecular structure of the synthesized complexes have been identified by using single crystal X-ray diffraction data. In the complexes formation the metal atom was coordinated via two sulfur atoms and two oxygen atoms. The single crystal structure of copper(II) and nickel(II) complex exhibits slightly distorted square planar geometry. The oxygen atoms are in a cis configuration. It appeared that the lengths of the thiocarbonyl and carbonyl bonds are longer than the average for C=S and C=O; meanwhile the C‐N bonds in the complex ring appeared to be shorter than the average for C‐N single bonds. These data show that C-O, C-S, and C-N bond lengths of the complexes suggest considerable electronic delocalization in the chelate ring. All bond lengths and angles obtained as a result of the analyses are found to be within experimental error limits. The obtained crystal analysis data shows that the structure of complex compounds is compatible with similar compounds in literature. Electrochemical behavior of complexes has been investigated by cyclic voltammetry technique in aprotic media. From the cyclic voltammetric investigation, both of the complexes have demonstrated electroactive properties.

scholarly journals Crystal structure ofN′′-benzyl-N′′-[3-(benzyldimethylazaniumyl)propyl]-N,N,N′,N′-tetramethylguanidinium bis(tetraphenylborate)

2015 ◽  
Vol 71 (12) ◽  
pp. o1086-o1087
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Positive Charge ◽  
Planar Geometry ◽  
Methyl Groups ◽  
Two Dimensional ◽  
Single Bond ◽  
Double Bond Character ◽  
Bond Lengths ◽  
Bond Character

In the crystal structure of the title salt, C24H38N42+·2C24H20B−, the C—N bond lengths in the central CN3unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyldimethylazaniumyl)propyl group have single-bond character. In the crystal, C—H...π interactions between the guanidinium H atoms and the phenyl C atoms of the tetraphenylborate ions are present, leading to the formation of a two-dimensional supramolecular pattern parallel to theacplane.

Two Modifications of Hg5Re2O10

1995 ◽  
Vol 50 (9) ◽  
pp. 1335-1339 ◽  
Author(s):  
Marietta S. Schriewer-Pöttgen ◽  
Wolfgang Jeitschko
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Elemental Mercury ◽  
Oxidation States ◽  
X Ray ◽  
Structure Factors ◽  
Oxygen Atoms

AbstractThe previously reported mercury perrhenate Hg5Re2O10, prepared hydrothermally, has now been obtained by reaction of HgO with the mercury(II) metaperrhenate Hg(ReO4)2 in sealed silica tubes. A second modification of this compound can be obtained by reaction of elemental mercury with Hg(ReO 4)2 also in sealed silica tubes. Its crystal structure has been determined from single-crystal X-ray data: P21/c, a - 861.5(1), b = 1200.9(2), c = 1203.9(2) pm, β = 97.15(1)°, Z = 4, R = 0.024 for 1733 structure factors and 105 variables. Both modifications may be represented by the formula Hg2+-2Hg2O - 2ReO4-, indicating that mercury occurs in oxidation states I and II. In both modifications the mercury and some oxygen atoms form two-dimensionally infinte, puckered, cationic nets of the composition (Hg2+-2Hg2O)n , which are separated by the ReO4- tetrahedra. In the modification reported earlier the mercury oxygen nets consist of condensed 16-membered rings, while the nets of the present modification contain 10- and 22-membered rings.

scholarly journals Dynamics of Water in Crystal Hydrates

1967 ◽  
Vol 22 (9) ◽  
pp. 1440-1451 ◽  
Author(s):  
Ingo Berthold ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Dynamical Behaviour ◽  
Water Molecules ◽  
Intensity Data ◽  
Two Dimensional ◽  
Fourier Synthesis ◽  
Hydrogen Atoms ◽  
X Ray ◽  
H Nmr

The crystal structure of Na2S2O6·2 H2O has been refined by means of single crystal X-ray intensity data. The structure of the isotypic Li2S2O6·2 H20 was also determined by single crystal studies. Two dimensional differential FOURIER synthesis revealed the approximate positions of the hydrogen atoms. From 1H-NMR investigations, the crystal structure, and information gained by IR spectroscopy the complete atomic arrangement in these two substances was obtained. The influence of the dynamical behaviour of the water molecules is taken into account in determining the hydrogen positions.

Lewis-Base Adducts of Group 11 Metal(I) Compounds. LIX. Crystal Structure Determinations of Tetrakis(trimethylphosphine)copper(I) Halides and Tetrakis(triphenylphosphine)-copper(I) and -silver(I) Hexafluorophosphates

1990 ◽  
Vol 43 (10) ◽  
pp. 1697 ◽  
Author(s):  
GA Bowmaker ◽  
PC Healy ◽  
LM Engelhardt ◽  
JD Kildea ◽  
BW Skelton ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Structures ◽  
Lewis Base ◽  
X Ray Diffraction ◽  
Coordination Environment ◽  
X Ray ◽  
Bond Lengths ◽  
Cu Complex ◽  
Structure Determinations

The crystal structures of [Cu(Pme3)4]X (X = Cl , Br, I) and of [M(PPh3)4] [PF6] (M = Cu, Ag) have been determined by single-crystal X-ray diffraction methods at 295 K. The former compounds contain nearly tetrahedral [Cu(PMe3)4]+ ions on sites of m symmetry with mean Cu-P bond lengths of 2.270, 2.271 and 2.278 Ǻ for X = Cl , Br and I respectively. The latter compounds contain [M(PPh3)4]+ ions on sites of 3 symmetry. In the M =Ag complex the coordination environment is close to tetrahedral, but in the M =Cu complex the length of the axial Cu-P bond [2.465(2)Ǻ] is significantly shorter than that of the off-axis bonds [2.566(2)Ǻ]. Possible reasons for this are discussed.

Crystal Structure of La3OBr[AsO3]2

2010 ◽  
Vol 65 (10) ◽  
pp. 1289-1292 ◽  
Author(s):  
Hamdi Ben Yahia ◽  
Rainer Pöttgen ◽  
Ute Ch. Rodewald
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lanthanum Oxide ◽  
Ammonium Bromide ◽  
Space Group ◽  
Type Space ◽  
Oxygen Atoms

Colorless needles of the arsenite bromide La3OBr[AsO3]2 were synthesized from ammonium dihydrogen arsenate, ammonium bromide and lanthanum oxide in an NaBr/KBr flux at 900 °C. La3OBr[AsO3]2 crystallizes with the centrosymmetric tetragonal La3OCl[AsO3]2 type, space group P42/mnm. The structure was refined from single-crystal diffractometer data: a = 13.0431(15), c = 5.6127(7) Å , wR2 = 0.0454, 945 F2 values, and 39 variables. It consists of chains of trans-edge-sharing OLa4/2 tetrahedra which are coordinated by [AsO3]3− units via the oxygen atoms

Die Kristallstruktur von Gadolinium (III)-sulfit Trihydrat Gd2(S03)3∙ 3H2O / Crystal Structure of Gadolinium(III)-sulfite Trihydrate Gd2(SO3)3 ∙3H2O

1994 ◽  
Vol 49 (1) ◽  
pp. 60-62 ◽  
Author(s):  
Hans-Ulrich Hummel ◽  
Petra Joerg ◽  
Gerhard Pezzei ◽  
Alexander Wolski
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Room Temperature ◽  
Triclinic Space Group ◽  
Space Group ◽  
Bond Lengths ◽  
Clear Solution ◽  
Oxygen Atoms

Abstract Gd2(SO3)3 • 3 H20 is obtained by passing gaseous SO2 through a suspension of Gd2O3 in H2O at room temperature until a clear solution is formed. Single crystals are obtained by heating to 70(2) °C for 6 days. The compound crystallizes in the triclinic space group P 1 with a = 6.499(6), b = 6.621(3), c = 6.954(3) Å, α = 110.71(5), β = 90.54(3), γ = 106.05(1)° and Z = 1. The two crystallographically different gadolinium atoms are both coordinated by eight oxygen atoms forming distorted square antiprisms. Gd(l) is coordinated by six O atoms of sulfite ligands and two O atoms of water, while Gd(2) is surrounded by seven O atoms of SO3 and one of H2O. Gd-O-bond lengths vary between 2.31(3) and 2.50(3) Å.

Crystal structure of Bis(O-ethylxanthato)bis(quinolin-8-olato)tin(IV)

1978 ◽  
Vol 31 (12) ◽  
pp. 2641 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
G Winter
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Coordination Sphere ◽  
Title Compound ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Oxygen Atoms

The crystal structure of the title compound, [Sn(S2COEt)2(C9H6NO)2], has been determined by single-crystal X-ray diffraction at 298 K and refined by least squares to a residual of 0.049 for 1771 ?observed? reflections. Crystals are monoclinic, P21/n, a 12.21(1), b 24.33(1), c 9.159(7) Ǻ, β 102.12(6)°, Z 4. The environment of the tin atom is six- coordinate: the two coordinating sulfur atoms of the monodentate xanthate ligands lie cis in the coordination sphere [Sn-S, 2.484(4), 2.510(4) Ǻ], and one in turn trans to the two oxine nitrogen atoms [Sn- N, 2.260(8), 2.237(10) Ǻ]. The remaining positions, trans to each other, are occupied by the oxine oxygen atoms [Sn-O, 2.047(7), 2.065(8) Ǻ]. O-Sn-O is 157.0(3)°. The overall point symmetry of the molecule is a good approximation to 2.

EXAFS and XRD investigations of zeunerite and meta-zeunerite

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
C. Hennig ◽  
G. Reck ◽  
T. Reich ◽  
A. Roßberg ◽  
W. Kraus ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths

AbstractIn this paper EXAFS was used to determine bond lengths in the structures of zeunerite and meta-zeunerite. The atomic distances between heavy and light scatterers observed using EXAFS in meta-zeunerite deviate approximately 0.1 Å from literature data of single-crystal X-ray diffraction measurements. Because this difference is significant higher than the error limits of EXAFS measurements, the complete crystal structure of meta-zeunerite, Cu[UO

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