The crystal structure of Bis(benzothiazole-2-thiolato)bis(pyridine)cobalt(II)

1977 ◽  
Vol 30 (11) ◽  
pp. 2425 ◽  
Author(s):  
IG Dance ◽  
D Isaac
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Chelate Ring ◽  
Molecular Complexes ◽  
Point Symmetry ◽  
Space Group ◽  
Membered Chelate Ring ◽  
Pyridine Nitrogen

Crystalline bis(benzothiazole-2-thiolato)bis(pyridine)cobalt(II) [Co(mbt)2(py)2] contains molecular complexes with C2 point symmetry, in which the cobalt is coordinated by two thiazole nitrogen atoms[cis, Co- N = 2.158(4) Ǻ], two mbt- exocyclic sulphur (Se) atoms [trans, Co-S = 2.595(5) Ǻ],and two pyridine nitrogen atoms [cis, Co-N = 2.120(4) Ǻ]. The N-C-S, section of mbt- is loosely coordinated to cobalt, forming a four-membered chelate ring. It is inferred from the observed dimensions that the electronic structure of coordinated mbt- is ?allylic?, N=C=Se. The crystals are orthorhombic, a 16.165(1), b 16.302(1), c 18.533(1) , Ǻ, space group Pccn, Z 8 [2 x 1/2 x Co(mbt)2(py)2],pobs 1.495, pcalc 1.495 g cm-3: Ni(mbt)2(py)2 is isostructural. The structure was obtained from 1847 observed diffractometer data (Cu Kα, θmax 55�), and refined to R 0.035, Rw 0.031.

Structural Studies of Complexes of Tridentate Terimine Systems. Crystal Structure of Bis(2,2′:6′,2′′-terpyridine)ruthenium(II) Perchlorate Hydrate, Bis(2,2′:6′,2′′-terpyridine)- osmium(II) Perchlorate Hemihydrate and Bis((1,10-phenanthrolin-2-yl)(pyridin-2-yl)amine)iron(II) Tetrafluoroborate Dihydrate

1998 ◽  
Vol 51 (12) ◽  
pp. 1131 ◽  
Author(s):  
Donald C. Craig ◽  
Marcia L. Scudder ◽  
Wendy-Anne McHale ◽  
Harold A. Goodwin
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Metal Ion ◽  
Chelate Ring ◽  
Monoclinic Space Group ◽  
Structural Studies ◽  
Triclinic Space Group ◽  
Space Group ◽  
Membered Chelate Ring ◽  
Group I

The crystal structures of bis(2,2′:6′,2″-terpyridine)ruthenium(II) perchlorate hydrate, bis(2,2′:6′,2″- terpyridine)osmium(II) perchlorate hemihydrate and bis((1,10-phenanthrolin-2-yl)(pyridin-2-yl)- amine)iron(II) tetrafluoroborate dihydrate are described. In the terpyridine complexes the ruthenium-nitrogen distances and the corresponding osmium-nitrogen distances are not significantly different. In both complexes the ligand geometry and the metal ion environment show the distortions usual for bis(terpyridine) systems. Distortions are less marked in the bis((1,10-phenanthrolin-2-yl)(pyridin-2-yl)amine)iron(II) cation in which each tridentate unit forms one five-membered and one six-membered chelate ring. [Ru(trpy)2] [ClO4]2.(H2O)1.1: tetragonal, space group I 41/a, a, b 12·527(2), c 40·202(11) Å, Z 8. [Os(trpy)2] [ClO4]2.(H2O)0·5: monoclinic, space group P 21/n, a 8·842(3), b 8·861(1), c 39·22(2) Å, β93·89(2)°, Z 4. [Fe(phpyam)2] [BF4]2.(H2O)2: triclinic, space group P -1, a 12·43(1), b 12·45(1), c 13·35(1) Å, α 62·70(10), β 78·55(8), γ 72·46(9)°, Z 2.

Synthese und Kristallstruktur von (Cyclopentadienyl)(dicarbonyl)(1,5-di-/Molyl-pentaazadienido)molybdän, (Cp)Mo(CO)2(tolN5tol)/ Synthesis and Crystal Structure of (Cyclopentadienyl)(dicarbonyl)(1,5-di-p-tolyl-pentaazadienido)molybdenum, (Cp)Mo(CO)2(tolN5tol)

1988 ◽  
Vol 43 (8) ◽  
pp. 1029-1032 ◽  
Author(s):  
Johannes Beck
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Metal Atom ◽  
Chelate Ring ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Membered Chelate Ring

Abstract(Cp)Mo(CO)2(tolN5tol) is formed in the reaction of (Cp)Mo(CO)3Cl with tolNN(NH)NNtol and NaOH in ethanol. It forms red platelike crystals from THF/hexane which crystallize in the monoclinic space group P21/n with the lattice parameters a = 765.6(2), b = 2372.3(3), c = 1149.4(2) pm, β = 97.06(2)°, Z = 4. The structure consists of monomeric complexes. The pentaazadienido ligand chelates with its nitrogen atoms N1 and N3 the Mo atom of a (Cp)Mo(CO)2 unit. The nitrogen atom N5 is not coordinated to the metal atom. Although asymmetrically bonded, the all trans N5 zig zag chain is planar. The N -N distances in the four membered chelate ring are nearly equal (N1 - N2 = 131.0 and N2 - N3 = 132.6 pm)

Boron Chelates and Boron-Metal Chelates, X [1]. 3-(2-Hydroxyphenyl)-2,2-diphenyl-1-oxa-3-azonia-2-borata-naphthalene-methanol (1/1): Synthesis, Spectroscopic Investigations and Crystal Structure

1982 ◽  
Vol 37 (11) ◽  
pp. 1450-1455 ◽  
Author(s):  
Rudolf Allmann ◽  
Eberhard Hohaus ◽  
Stanislaw Olejnik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Analysis ◽  
Title Compound ◽  
Chelate Ring ◽  
Boron Chelates ◽  
X Ray ◽  
Membered Chelate Ring ◽  
Compound C ◽  
Overall Ratio

The title compound, C25H20BNO2 · CH3OH, was examined by UV, IR, 1H, and 13C NMK spectroscopy as well as by thermogravimetry and X-ray structure analysis (Pbnb, a = 8.815, b = 17.309, c=28.992 Å, R= 5.5%). These investigations show the six-membered chelate ring (chelate A) to exist as formulated in [2] and not as a five-membered chelate ring B. One methanol molecule connects two chelate molecules by hydrogen bonds, resulting in an overall ratio of chelate to methanol of 1 : 1.

The Dichloroplatinum(II) and Dichloropalladium(II) Complexes of 1,4-Diazacycloheptane: Preparative, Structural and Conformational Studies

1996 ◽  
Vol 49 (12) ◽  
pp. 1301 ◽  
Author(s):  
GW Allen ◽  
ECH Ling ◽  
LV Krippner ◽  
TW Hambley
Keyword(s):  
Crystal Structures ◽  
Chelate Ring ◽  
Chair Conformation ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Membered Chelate Ring ◽  
Alternative Conformation

The preparation and purification of [Pt( hpip )Cl2] and [Pd( hpip )Cl2] ( hpip = homopiperazine = 1,4-diazacycloheptane) are described. Crystal structures of [Pt( hpip )Cl2] and [Pd( hpip )Cl2] have been determined by X-ray diffraction methods and refined to R values of 0.023 (932 F) and 0.023 (948 F). The crystals of [Pt( hpip )Cl2] are orthorhombic, space group Pbcm , a 7.7019(8), b 9.8080(12), c 12.1944(14) Ǻ, and those of [Pd( hpip )Cl2] are monoclinic, space group P21/m, a 6.1001(9), b 11.527(2), c 6.458(I) Ǻ, β 106.30(2)°. The seven- membered rings of the ligands in both complexes adopt boat-like conformations in which the five- membered chelate ring has an eclipsed N-C-C-N group and the six- membered chelate ring adopts a chair conformation. Molecular mechanics methods were used to investigate whether this conformation was a crystallographic artefact but it was found to be real. An alternative conformation in which the six-membered chelate ring adopts a skew-boat conformation was also investigated. It was found to be less stable than the conformation observed in the crystal structures, but to a degree that depends on whether non-bonded interactions involving the metal atom were included or not.

Band-gap tuning by solid-state intercalations of Mg, Ni, and Cu into Mo3Sb7

2003 ◽  
Vol 81 (11) ◽  
pp. 1157-1163 ◽  
Author(s):  
N Soheilnia ◽  
E Dashjav ◽  
H Kleinke
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Solid State ◽  
Single Crystal ◽  
Band Gap ◽  
Stoichiometric Ratio ◽  
Powder Form ◽  
Silica Tube ◽  
Space Group ◽  
Band Gap Tuning

Mo3Sb7 was synthesized by heating the elements in the stoichiometric ratio in a sealed silica tube at 700 °C. The title compounds AδMo3Sb7 (A = Mg, Ni, Cu) were prepared by annealing prereacted Mo3Sb7 with different amounts of A in powder form between 500 and 750 °C. According to our single-crystal structure studies, the A atoms can be intercalated in small amounts into the cubic voids of the Mo3Sb7 structure without noticeable symmetry changes (space group Im[Formula: see text]m). The different cations cause different band-gap decreases that depend on the element as well as its concentration.Key words: thermoelectrics, band-gap tuning, intercalation, antimonide, electronic structure.

Untersuchungen an Polyhalogeniden, XX [1] Darstellung und Kristallstruktur von Tetra(methyltriphenylphosphonium)docosaiodid (MePh3P)4I22 / Studies of Polyhalides, XX [1] Preparation and Crystal Structure of Tetra(methyltriphenylphosphonium)docosaiodide (MePh3P)4I22

1995 ◽  
Vol 50 (10) ◽  
pp. 1440-1444 ◽  
Author(s):  
Karl-Friedrich Tebbe ◽  
Taraneh Farida
Keyword(s):  
Crystal Structure ◽  
Short Distance ◽  
Point Symmetry ◽  
Iodine Molecule ◽  
Triclinic Space Group ◽  
Space Group

The new compound (MePh3P)4I22 has been prepared by the reaction of Ph3MePI with iodine in a mixture of methanol and dichloromethane. It crystallizes in the triclinic space group P1̅ with a = 1018.4(3), b = 1333.0(4), c = 2042.9(6) pm, a = 88.56(2), β = 78.05(2), γ = 76.03(2)° and Z = 1. The crystal structure has been refined to RF = 0.0487 for 5525 reflections. It may be described as a layer-like packing of cations [CH3(C6H3)3P]+ and anions I224- divided in one I122- and two I5- groups. The central I122- anion with point symmetry Q consisting of two L-shaped pentaiodide groups and a bridging iodine molecule is completed by two further end-on bonded pentaiodide ions with a rather short distance of 366.7(2) pm to the weakly bonded and nearly isolated docosaiodide ion.

Bis(3-ethoxy-4-hydroxybenzaldehyde thiosemicarbazonato-κ2 S,N)nickel(II) monohydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m799-m800
Author(s):  
Li-Fang Jiang ◽  
Zun-Xing Huang ◽  
Jia-Hong Chen
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Title Compound ◽  
Chelate Ring ◽  
Planar Geometry ◽  
Inversion Center ◽  
Envelope Conformation ◽  
Membered Chelate Ring ◽  
Uncoordinated Water Molecule ◽  
Square Planar

In the crystal structure of the title compound, [Ni(C10H12N3O2S)2]·H2O, the NiII atom is located on an inversion center and is chelated by two hydroxyethoxybenzaldehyde thiosemicarbazonate anions in a square-planar geometry. The five-membered chelate ring assumes an envelope conformation, with the Ni atom lying at the flap position. The uncoordinated water molecule is disordered over another inversion center and is hydrogen bonded to the NiII complex.

Ein neuer Zugang zu Tetrathiooxalaten. Die Kristallstruktur von (NEt4)2[C2S4] / A Novel Access to Tetrathiooxalates. Crystal Structure of (NEt4)2[C2S4]

1992 ◽  
Vol 47 (5) ◽  
pp. 702-705 ◽  
Author(s):  
Alfred D. Bacher ◽  
Irina Sens ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Point Symmetry ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Subsequent Addition

(NEt4)2S5 was prepared from NEt4Cl and Na2S4 in ethanol. Its reaction with boiling acetonitrile yielded tetraethylammonium tetrathiooxalate. (NEt4)2[C2S4] was also obtained by heating (NEt4)2S5 with tetraethylammonium dithioacetate in ethanol. Benzyltriethylammonium tetrathiooxalate, (NEt3Bz)2[C2S4]· 2 toluene, crystallized after NEt3BzCl and Na2S4 were heated in acetonitrile on subsequent addition of toluene. The crystal structure of (NEt4)2[C2S4] was determined by X-ray diffraction (454 independent observed reflexions, R = 0.047). Crystal data: tetragonal, a = 871.2(1) pm, c = 1566.0(3) pm, space group P42/nmc, Z = 2. The [C2S4]2- ion has point symmetry 4m2 (D2d), i.e. the dihedral angle between the two CS2 groups is 90°. The ethyl groups of the NEt4+ ions are disordered in two orientations.

Sign in / Sign up

Export Citation Format

Share Document