The crystal and molecular structure of the bis(thiocyanato)-bis(4-methylpyridine)copper(II) complex at 180 K

1990 ◽  
Vol 55 (5) ◽  
pp. 1184-1192 ◽  
Author(s):  
Mária Kabešová ◽  
Zlatica Kožíšková ◽  
Michal Dunaj-Jurčo
Keyword(s):  
Molecular Structure ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Central Atom ◽  
Elementary Cell ◽  
Heterocyclic Ligands ◽  
Monoclinic System ◽  
Coordination Polyhedra ◽  
Cell Parameters ◽  
Thermal Stability Of

At 180 K, [Cu(4-Mepy)2(NCS)2] crystallizes in the monoclinic system, space group P21, Z = 6, with the elementary cell parameters a = 0.963(1), b = 2.653(2), c = 0.984(2) nm, β = 106.40(0.07)°. The central atom possesses the tetragonal bipyramidal coordination; the heterocyclic ligands are bonded in the equatorial plane of the coordination polyhedron in the trans positions, the thiocyanate ligands are bridge ones and are coordinated in both the equatorial and axial positions of the coordination polyhedron. The crystal structure involves three symmetrically independent coordination polyhedra differing in the degree of axial distortion. The thermal stability of the thiocyanate ligands in the complex is related with the steric arrangement of the thiocyanatocopper(II) chains.

The crystal structure of C.I. Pigment Red 2, 1′-(2,5-dichlorophenyl)azo-2′hydroxy-3′-phenylamidonaphthalene

1977 ◽  
Vol 146 (4-6) ◽  
Author(s):  
A. Whitaker
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Intramolecular Hydrogen

AbstractThe crystal and molecular structure of C.I. Pigment Red 2, l′-(2,5-dichlorophenyl)azo-2′-hydroxy-3′-phenylamidonaphthalene has been determined by x-ray diffraction techniques. It crystallizes in the monoclinic system with cell parametersThe hydrogen atoms have been found and included but not refined. The final residual is 15.3%. The molecule is probably in the form of the hydrazone tautomer. The intramolecular hydrogen bonds keep most of the molecule approximately planar while it appears that the remainder is held in the same plane due to steric hinderence between the molecules. The molecules are packed in columns with alternate molecules antiparallel and are linked by van der Waals forces.

The crystal and molecular structure of tris(1-aza-2-cyclononanone-O)-trichlorochromium(III) complex

1982 ◽  
Vol 47 (9) ◽  
pp. 2403-2414 ◽  
Author(s):  
Jindřich Hašek ◽  
Karel Huml ◽  
Jiří Ječný ◽  
Rudolf Puffr
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Amide Group ◽  
Structure Parameters ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Cell Parameters ◽  
Monodentate Ligands ◽  
The Relationship

The title compound crystallizes in the monoclinic system, has the P21/c space group, and the unit cell parameters are a = 1 484.4(8), b = 1 522.8(8), c = 1 854.0(8) pm, β = 96.36(4)°, Z = 4. The structure consists of molecules of an electroneutral complex interconnected only through the van der Waals forces. Solvent is nonstoichiometrically incorporated in the crystals. Octanolactam monodentate ligands are coordinated through oxygen atoms to Cr(III) and have the cis-conformation of the amide group. The relationship between structure parameters of the amide group, their change caused by coordination and the reactivity of the amide group to nucleophilic substitution are discussed using the example of octanolactam polymerization.

Bis(1,10-phenantroline)copper(II) Complexes. Refinement of the Crystal Structure of the Dithiocyanato-bis(1,10-phenanthroline)copper(II) Complex

1992 ◽  
Vol 57 (6) ◽  
pp. 1269-1277 ◽  
Author(s):  
Mária Kabešová ◽  
Zlatica Kožíšková
Keyword(s):  
Crystal Structure ◽  
Coordination Polyhedron ◽  
Room Temperature ◽  
Central Atom ◽  
Elementary Cell ◽  
Axial Position ◽  
Published Data ◽  
Orthorhombic Structure ◽  
Cell Parameters ◽  
Phenanthroline Ligand

[Cu(NCS)2(phen)2] possesses the orthorhombic structure Pbcn at room temperature; the elementary cell parameters are a = 1.3029(21), b = 0.9900(15), c = 1.7256(23) nm, Z = 4. The central atom has the pseudooctahedral CuN6 coordination. The thiocyanate ligands are coordinated by the nitrogen atom in the equatorial plane of the coordination polyhedron. Each phenanthroline ligand in the coordination polyhedron coordinates one equatorial and one axial position. All the coordinating ligands possess the cis arrangement in the coordination sphere. The experimental results are correlated with published data of other bis(phenanthroline)copper(II) crystal structures.

The crystal and molecular structure of thiocyanatocopper(II) complexes with 3-methylpyridine and 3,4-dimethylpyridine

1989 ◽  
Vol 54 (7) ◽  
pp. 1800-1807 ◽  
Author(s):  
Mária Kabešová ◽  
Zlatica Kožíšková
Keyword(s):  
Crystal And Molecular Structure ◽  
Central Atom ◽  
Ethanolic Solution ◽  
Unit Cell Parameters ◽  
Monoclinic Symmetry ◽  
Heterocyclic Ligands ◽  
Interatomic Distances ◽  
Heterocyclic Ligand ◽  
Cell Parameters ◽  
Tetragonal Pyramidal

Crystals of the complexes [Cu(3,4-diMepy)3(NCS)2] (I) and [Cu(3-Mepy)3(NCS)2] (II) (Me = methyl, py = pyridine) possess the monoclinic symmetry, Pc, with the unit cell parameters of I and II: a = 0.9825(7) and 0.9027(7) nm, b = 0.9740(7) and 0.9021(7) nm, c = 1.4130(60) and 1.4958(50) nm, β = 108.8(4)° and 114.08(4)°, Z = 2 in both cases, d0 = 1.32.103 and 1.37.103 kg m-3, and dc = 1.30.103 and 1.37.103 kg m-3, respectively. The central atom in the complexes exhibits tetragonal pyramidal coordination. The thiocyanate ligands are coordinated by the nitrogen atoms in the equatorial as well as axial positions of the coordination polyhedron. The three heterocyclic ligands are bonded in the equatorial plane. The arrangement of the ligands and the interatomic distances are the same in the two complexes. The crystals were prepared by reacting an ammoniacal solution of CuSO4 with an ethanolic solution of the heterocyclic ligand L and an aqueous solution of NH4NCS so that the c(Cu):c(NH3):c(L):c(NCS) ratio was 2:8:5:4.

The crystal structure of C.I. Pigment Red 6, 4-chloro-2-nitrophenylazo-2-naphthol

1977 ◽  
Vol 145 (3-4) ◽  
Author(s):  
A. Whitaker
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters

AbstractThe crystal and molecular structure of C.I. Pigment Red 6, 4-chloro-2-nitrophenylazo-2-naphthol has been determined by x-ray diffraction techniques. It crystallizes in the monoclinic system with cell parameters

Crystal and molecular structure of fenspiride, C15H20N2O2

2020 ◽  
Vol 35 (2) ◽  
pp. 144-146
Author(s):  
Silvina Pagola
Keyword(s):  
Molecular Structure ◽  
General Position ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Inflammatory Drug ◽  
Space Group ◽  
Cell Parameters ◽  
Independent Molecules

The crystal and molecular structure of fenspiride, a bronchodilator and anti-inflammatory drug, are reported. Fenspiride crystallizes in the monoclinic system, with two crystallographically independent molecules in the general position of the space group P21/n (No. 14) and Z = 8. Rietveld refined unit cell parameters are a = 11.52013(8) Å, b = 5.614091(31) Å, c = 44.1567(4) Å, α = 90°, β = 93.0885(6)°, γ = 90°, and V = 2851.69(4) Å3.

The crystal and molecular structure of tris(pentamethylenedithiocarbamate) chromium(III)-chloroform (1 : 2)

1981 ◽  
Vol 46 (1) ◽  
pp. 6-19 ◽  
Author(s):  
Viktor Kettman ◽  
Ján Garaj ◽  
Jaroslav Majer
Keyword(s):  
Molecular Structure ◽  
Structural Analysis ◽  
Crystal And Molecular Structure ◽  
Analysis Method ◽  
Complex Molecules ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Cell Dimensions ◽  
Crustal Density ◽  
Unit Cell Dimensions

The crystal and molecular structure of [Cr(S2CN(CH2)5)3].2 CHCl3 was found by the X-ray structural analysis method. The value R 0.090 was found for 1 131 observed independent reflections. The substance crystallizes in a space group of symmetry P212121 with the following unit cell dimensions: a = 0.8675 (6), b = 1.815(2), c = 2.155(3) nm. The experimentally observed crustal density was 1.48 Mgm-3 and the value calculated for Z = 4 was 1.51 Mgm-3. The CrS6 coordination polyhedron has the shape of a trigonally distorted octahedron, where the D3 symmetry is a approximately retained. The degree of trigonal distortion expressed as the projection of the chelate S-Cr-S angle onto the plane perpendicular to the C3 pseudo axis is Φ = 41.7° (Φ = 60° for an octahedron). The skeleton of the structure formed by the complex molecules contains channels filled with chloroform molecules. The specific type of complex-chloroform interaction consists of the formation of hydrogen bonds of the chloroform protons with the fully occupied pπ-orbitals of the sulphur atoms in the coordination polyhedra. The low stability and crystal decomposition can be explained by loss of chloroform from the channels.

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

The Crystal and Molecular Structure of bis(triphenylphosphine)-(ethylene)platinum, (PPh3)2PtC2H4

1972 ◽  
Vol 50 (6) ◽  
pp. 912-916 ◽  
Author(s):  
P.-T. Cheng ◽  
S. C. Nyburg
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Transition Elements ◽  
Triphenyl Phosphine ◽  
Monoclinic System ◽  
Full Matrix ◽  
X Ray ◽  
R Factor ◽  
System A

The X-ray crystal structure analysis of the triphenyl–phosphine platinum ethylene complex (PPh3)2PtC2H4 is reported. The crystals belong to the monoclinic system a = 16.46(3), b = 10.85(2), c = 17.85(3) Å, β = 100.5(1)°, space group P21/a, Z = 4 molecules per cell.The ethylene C—C distance of 1.434(13) Å is in accord with that found when other transition elements form metallo-cyclopropanes. The structure has been refined by anisotropic full-matrix least-squares, the final R-factor being 0.043 for 4174 observed reflections.

Metalltetrahydridoborate und Tetrahydridometallate, 11 [1] Zur Kristall- und Molekülstruktur von Magnesiumtetrahydridoborat Mg(BH4)2 • 3 THF / Metal Tetrahydridoborates and Tetrahydridoborato Metallates, 11 [1] The Crystal and Molecular Structure of Magnesium Tetrahydridoborate Mg(BH4)2 • 3 THF

1982 ◽  
Vol 37 (12) ◽  
pp. 1499-1503 ◽  
Author(s):  
Heinrich Nöth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Oxygen Atom ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Equatorial Position ◽  
Crystallographic Axis ◽  
Space Group ◽  
Distorted Trigonal Bipyramid ◽  
Double Hydrogen

Mg(BH4)2 • 3 THF was prepared from MgHo and B2H6 in tetrahydrofuran. It crystallizes monoclinically, space group C2/c, Z = 4. The crystal structure reveals that the molecule contains a seven-coordinate Mg center. Its BH4 groups form double hydrogen bridges to magnesium. The geometry at Mg corresponds to a slightly distorted trigonal bipyramid for the O 3 B 2 (Mg)-coordination polyhedron, with two THF molecules in apical and one in equatorial position. A two-fold crystallographic axis passes through Mg and the equatorial oxygen atom thus posing C2 symmetry on the molecule

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