Synthese und Struktur von Cäsium-1,5-bis(p-tolyl)pentaazadienid, Cs+(tolN5tol)- / Synthesis and Structure of Cesium 1,5-Bis(p-tolyl)pentaazadienide, Cs+(tolN5tol)-

1988 ◽  
Vol 43 (5) ◽  
pp. 529-532 ◽  
Author(s):  
Raimund Schmid ◽  
Johannes Beck ◽  
Joachim Strähle
Keyword(s):  
Aqueous Solution ◽  
Zigzag Chain ◽  
Double Bonds ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Crystalline Precipitate ◽  
Concentrated Solution ◽  
Single Bonds

Cs+(tolN5tol)- (1) is formed as a yellow crystalline precipitate after addition of a concentrated aqueous solution of CsCl to a concentrated solution of 1,5-Bis(p-tolyl)pentaazadiene(1,4) in ammonia. 1 crystallizes in the orthorhombic space group Pccn with a = 3169(1), b = 434.3(2), c = 1109.4(7) pm, Z = 4. The structure contains (tolN5tol)- anions and Cs+ cations both occupying two-fold axes. The all-trans N5 zigzag chain is planar with localized double bonds N1 - N2 and N2′ - N1′ of 127.7 pm and shortened single bonds N2-N3 and N3-N2′ of 136.9 pm. The tolyl substituents are titled by 25.5° against the plane of the N atoms. Cs+ is surrounded in a square antiprismatic arrangement by eight N atoms of four N5 chains with distances Cs-N in the range of 314.6 to 366.2 pm.

Zur Struktur des Pentaazadienidions [tol-N=N-N-N=N-tol]-. Synthese und Kristallstruktur von Cs2(18-Krone-6)(tolN5tol)2 und (NH4)[Cr(NH3)6(H2O)4](tolN5tol)4 / The Structure of the Pentaazadienide Anion [tol-N=N—N—N=N-tol]-. Synthesis and Crystal Structure of Cs2(18-Crown-6)(tolN5tol)2 and (NH4)[Cr(NH3)6(H2O)4](tolN5tol)4

1993 ◽  
Vol 48 (11) ◽  
pp. 1574-1580 ◽  
Author(s):  
Susanne Dieterich ◽  
Joachim Strähle
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aqueous Ammonia ◽  
Water Molecules ◽  
Double Bonds ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Concentrated Solution ◽  
Single Bonds

A concentrated solution of CsCI, 18-crown-6, and tol-N=N—N(H)—N=N-tol in aqueous ammonia affords Cs2(18-crown-6)(tolN5tol)2, which crystallizes in the triclinic space group P1̄ with a = 852.6(2), b = 1139.4(3), c = 1373.9(4) pm, α = 104.17(3), ß = 95.94(2), γ = 110.74(2)°, Ζ = 1. In the structure centrosymmetrical [Cs2(18-crown-6)]2+ moieties are packed with pairs of 1,5-bis(tolyl)pentaazadienide anions to built up columns along [100]. The N—N distances N1 —N2 = 128 pm and N4—N5 = 129 pm in the pentaazadienide anions indicate localized double bonds, while the distances N2—N3 and N3—N4 of 134 pm can be assigned to single bonds. A mixture of Cr(NH3)63+ and tolNNN(H)NNtol in concentrated aqueous ammonia yields triclinic (NH4)[Cr(NH3)6(H2O)4](tolN5tol)4 crystallizing in the space group P l with the lattice parameters a = 1561.1(1), b = 1619.3(3), c = 1703.3(2) pm, α = 107.03(1), β = 116.81(1), γ = 101.75(1)°, Ζ = 2. The structure contains tolN5tol- anions, NH4+ cations and [Cr(NH3)6(H2O)4]3+ complexes in which four triangular faces of the Cr(NH3)6 octahedron are capped by water molecules which are linked via hydrogen bonds. Within the pentaazadienide anions which are connected with the [Cr(NH3)6(H2O)4]3+ complexes also via hydrogen bonds an indication for localized double bonds Ν1=Ν2 and N4=N 5 has been obtained.

scholarly journals Die Kristallstrukturen von (1,5-Ditolylpentaazadienido)(triphenylphosphan)gold(I) und 1,5-Ditolyl-3-methylpentaazadien / The Crystal Structures of (1,5-Ditolylpentaazadienido)(triphenylphosphane)gold(I) and 1,5-Ditolyl-3-methylpentaazadien

1988 ◽  
Vol 43 (10) ◽  
pp. 1219-1223 ◽  
Author(s):  
Johannes Beck
Keyword(s):  
Nitrogen Atom ◽  
Crystal Structures ◽  
Phosphorus Atom ◽  
Gold Atom ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Lattice Constants ◽  
Monomeric Complex ◽  
Single Bonds

PPh3Au(tolN5tol) is obtained by the reaction of PPh3Au+ClO4- with Tl(tolN5tol). It crystallizes in the monoclinic space group P21/c with the lattice parameters a = 1548.8(5), b = 1070.7(2), c = 1779.1(3) pm, β = 90.33(2)°, Z = 4. In the monomeric complex the gold atom is nearly linearcoordinated by the phosphorus atom of the PPh3 group and nitrogen atom N3 of the pentaazadienido ligand ( N3 - Au - P 178.4°). tolNN(NCH3)NNtol crystallizes in the orthorhombic space group Pccn with the lattice constants a = 2426.7(9), b = 469.3(2), c = 1195.3(4) pm. The unit cell contains four molecules, located on twofold axes. Due to the isolobality of the CH3 and the PPh3Au group, the two structures are closely related. Both contain the typical planar zig-zag chain of five nitrogen atoms with located double bonds N1-N2 and N4 - N5 (from 119.8 to 126.6 pm) and shortened single bonds N2 - N3 and N3 - N4 (132.7 to 140.0 pm).

scholarly journals Die Chloro-rhodate(III) [RhCl6]3- und [RhCl5(H2O)]2- · Kristallstruktur von (NH4)3RhCl6 · H2O / The Chloro Rhodates(III) [RhCl6]3- and [RhCl5(H2O)]2- · Crystal Sructure of (NH4)3RhCl6 · H2O

1986 ◽  
Vol 41 (1) ◽  
pp. 1-3 ◽  
Author(s):  
Ulrich Treiber ◽  
Michael Zwilling ◽  
Eberhard Schweda ◽  
Joachim Strähle
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Slow Evaporation ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Lattice Constants

(NH4)3RhCl6 · H2O is obtained in form of deep red needles by slow evaporation of an aqueous solution of RhCI3 and excess NH4Cl. It crystallizes in the orthorhombic space group Pnma with lattice constants a = 1219.3. b = 700.7, c = 1416.7 and Z = 4. The structure is built up by octahedral RhCl63- anions and NH4+ cations. The water molecules form hydrogen bridges with NH4+ cations. The reaction of (NH4)3RhCl6 with Ag+ yields Ag2[RhCl5(H2O)] and AgCl.

On the crystal structures of some nickel hexacyanoferrates (II,III)

2004 ◽  
Vol 19 (3) ◽  
pp. 284-291 ◽  
Author(s):  
R. Martínez-Garcia ◽  
E. Reguera ◽  
J. Balmaseda ◽  
G. Ramos ◽  
H. Yee-Madeira
Keyword(s):  
Aqueous Solution ◽  
Crystal Structures ◽  
Interstitial Water ◽  
Structural Information ◽  
Water Molecules ◽  
Ionic Exchange ◽  
Orthorhombic Distortion ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Large Cation

The crystal structures of some nickel hexacyanoferrates (II, III), including mixed compositions containing Na+, K+ and Cs+, were resolved and refined from XRD powder patterns. Data from infrared, Mössbauer and adsorption techniques provided complementary structural information. The crystal structures of Ni3[Fe(CN)6]2⋅16H2O and NiCs2[Fe(CN)6] were refined in space group Fm3m. NiNa2[Fe(CN)6]⋅2H2O and NiK2[Fe(CN)6]⋅2H2O were found to be orthorhombic (space group Pmn21). This structure (Pmn21) results from a distortion around the alkali ion, which appears as a monohydrated interstitial species. On ionic exchange in an aqueous solution containing Cs+, the orthorhombic distortion disappears and the cubic cell is obtained. Cs+ is a large cation and space is not available for interstitial water molecules. This orthorhombic model is also supported by the Mössbauer spectra of the ferrous analogs, FeK2[Fe(CN)6]⋅xH2O and Fe[Pt(CN)6]. © 2004 International Centre for Diffraction Data.

Synthese und Eigenschaften von Pentaazadienido-Komplexen des zweiwertigen Cobalts. Kristallstruktur von [Co(OCH3)(tolNNNNNtol)]6 · 2C9H12

1987 ◽  
Vol 42 (7) ◽  
pp. 911-916 ◽  
Author(s):  
Raimund Schmid ◽  
Johannes Beck ◽  
Joachim Strähle
Keyword(s):  
Aqueous Ammonia ◽  
The Other ◽  
Octahedral Coordination ◽  
Zigzag Chain ◽  
Double Bonds ◽  
Triclinic Space Group ◽  
Space Group ◽  
Lattice Constants ◽  
Methoxy Groups

Abstract Co(tolNNNNNtol)2 (1) is obtained from solutions of 1,5-di-p-tolyl-1,4-pentaazadiene und CoCl2 - 6H2O in aqueous ammonia. It is a paramagnetic, explosive, red com pound which reacts with alcohols to the alcoholates Co(OR)(tolNNNNNtol). The methoxy complex is hexameric. It crystallizes from mesitylene/methanol as [Co(OCH3)(tolNNNNNtol)]6 · 2C9H12 in the triclinic space group P1̄ with the lattice constants: a = 1667.1(5), b - 1784.2(5), c = 2159.2(6) pm, α = 93.05(3)°, β = 96.10(2)°, γ = 64.63(2)°, Z = 2. In the hexameric complex six Co atoms and six methoxy groups form a central twelve membered Co - O ring with a symmetry close to D3d. The pentaazadienide ligands act as additional bridges between two Co atoms, coordinating one Co atom monodentate with N1 and the other Co atom bidentate with N3 and N5. This leads to alternating tetrahedral and octahedral coordination of the Co atoms. The average Co-O distances are 192,3 pm in the CoO2N2 tetrahedron and 198,0 pm in the CoO2N4 octahedron. The corresponding Co-N distances are 206.3 and 221.4 pm respectively. In the planar N5 zigzag chain slightly elongated double bonds N1 - N2 and N4 -N5 of 128.2 pm and partial double bonds N2 -N3 and N3 -N4 of approximately 134.6 pm are observed.

Untersuchungen an Polypseudohalogeniden, II. Darstellung und Kristallstruktur des Rubidiumdicyanotriiodids, Rb[I(ICN)2]/ Studies on the Polypseudohalides, II. Preparation and Crystal Structure of Rb[I(ICN)2]

1983 ◽  
Vol 38 (5) ◽  
pp. 549-553 ◽  
Author(s):  
Karl-Friedrich Tebbe ◽  
Roland Fröhlich
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Minimum Distance ◽  
Alkali Halides ◽  
Formula Unit ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Simple Addition ◽  
Anionic Groups

AbstractThe new compound Rb[I(ICN)2] can be prepared in aqueous solution by simple addition of two mole equivalents of ICN to one formula unit Rbl. The solid is isotypic with Cs[I(ICN)2] and crystallizes in the orthorhombic space group Pmmn with a = 16.246 Å, b = 6.795 Å, c = 4.397 Å and Z = 2. The crystal structure has been solved from diffractometer data and refined to R = 0.035 for 313 observed reflections. The structure may be interpreted as a layer-like package of Rb+ cations and pentahalideanalogous anions [I(ICN2]-. The anionic groups are angular with symmetry mm 2 and φ ( I-I-- I ) = 128.69°, φ(I--I-C) = 175.5°, φ=(I-C-N) = 177°, d(I--I) = 3.271 Å, d(I-C) = 2.11 A, d(C-N) = 1.13 A. The cation is surrounded by a distorted cube of iodine atoms with a minimum distance d(Rb-I) = 3.775 Å.Some additional results on the reactions of alkali halides and halogenocyans in different solvents are mentioned and compared with those described elsewhere.

Sterically Crowded Heterocycles. VI. Relative Configuration of Diastereoisomeric (Z)-1,3-Diphenyl-3-(5-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ols

1996 ◽  
Vol 61 (9) ◽  
pp. 1380-1385 ◽  
Author(s):  
Jan Čejka ◽  
Richard Kubík ◽  
Bohumil Kratochvíl ◽  
Josef Kuthan
Keyword(s):  
Preparative Separation ◽  
Orthorhombic Space Group ◽  
Relative Configuration ◽  
Space Group ◽  
X Ray

Relative configuration of the titled racemic compounds 1a and 1b has been elucidated on the basis of a complete X-ray structure determined for the higher melting diastereoisomer. The compound 1a crystallizes in the orthorhombic space group P21212, a = 15.610(3) Å, b = 18.634(4) Å, c = 7.5672(7) Å, V = 2201.1(6) Å3, Z = 4. Preparative separation of both diastereoisomers is reported.

Structure Investigations of Agonists of the Natural Neurotransmitter Acetylcholine, IV [1]. X-Ray Structure Analyses of Trimethylpentylammonium-chloride and (4-Acetoxybutyl) trimethylammonium-iodide

1986 ◽  
Vol 41 (5-6) ◽  
pp. 618-626
Author(s):  
Alfred Gieren ◽  
Michail Kokkinidis
Keyword(s):  
Structure Refinement ◽  
Pharmacological Action ◽  
Ammonium Nitrogen ◽  
Carbonyl Oxygen ◽  
Type B ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Structure Investigations ◽  
Automatic Diffractometer

The crystal structures of the title compounds which display cholinergic activity at the ganglionic receptor have been determined by X-ray structure analysis. [(CH3)3N+C5H11]Cl- (1) crystallizes in the orthorhombic space group Pbnm with half a formula unit per asymmetric unit, a = 11.381(14). b = 12.871(17), c = 7.316(4) Å. The intensities of 1106 independent reflections were collected with an automatic diffractometer. The structure refinement converged at R = 0.133 for the 355 observed reflections. The cation of 1 is disordered. [(CH3)3N + (CH2)4-O-C(O)-CH3]I- (2) crystallizes in the orthorhombic space group P212121 with four formula units per unit cell, a = 16.783(8), b = 10.276(6), c = 7.427(10) Å. The intensities of 1469 independent reflections were collected. The structure refinement converged at R = 0.071 for 1383 observed reflections. In both compounds the trimethylammonio methyl groups are coordinated nearly tetrahedrally by four anions in the first coordination sphere. Anions which occupy a special face type (B) of the tetrahedron of the (CH3)3N+ -CH2-group may be treated as a “model binding site” of the receptor. In the crystal structure of 2 the anions occupying B-type faces form together with the ammonium nitrogen and the carbonyl oxygen so called “Activity triangles”. The almost equal geometries of these activity triangles are correlated with the mode of pharmacological action.

Strukturuntersuchungen an Diaryldichalkogeniden: Die Molekülstrukturen von [2,4,6-(CF3)3C6H2S]2,[2,4,6-Me3C6H2Te]2 und [2-Me2N-4,6-(CF3)2C6H2Te]2 / Structural Investigations of Diaryl Dichalcogenides: The Molecular Structures of [2,4,6-(CF3)3C6H2S]2, [2,4,6-Me3C6H2Te]2 and [2-Me2N-4,6-(CF3)2C6H2Te]2

1992 ◽  
Vol 47 (3) ◽  
pp. 305-309 ◽  
Author(s):  
Anja Edelmann ◽  
Sally Brooker ◽  
Norbert Bertel ◽  
Mathias Noltemeyer ◽  
Herbert W. Roesky ◽  
...  
Keyword(s):  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Structural Investigations ◽  
Space Group ◽  
X Ray

Abstract The Molecular Structures of [2,4,6-(CF3)3C6H2S]2 (1) [2,4,6-Me3C6H2Te]2 and [2-Me2N-4,6-(CF3)2C6H2Te]2 (3) have been determined by X-ray diffraction. Crystal data: 1: orthorhombic, space group P212121, Z = 4, a = 822.3(2), b = 1029.2(2), c = 2526.6(5) pm (2343 observed independent reflexions, R = 0.042); 2: orthorhombic, space group Iba 2, Z = 8, a = 1546.5(2), b = 1578.4(2), c = 1483.9(1) pm (2051 observed independent reflexions, R = 0.030); 3: monoclinic, space group P 21/c, Z = 4, a = 1118.7(1), b = 1536.5(2), c = 1492.6(2) pm, β = 98.97(1)° (3033 observed independent reflexions, R = 0.025).

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

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