Crystal and molecular structures of aquahalogenovanadium(III) complexes. Part II. X-Ray crystal structure of dicaesium trans-tetrakisaquadichlorovanadium(III) trichloride, and the isomorphous bromo-compound

1976 ◽  
pp. 1741 ◽  
Author(s):  
William F. Donovan ◽  
Larry P. Podmore ◽  
Peter W. Smith
Keyword(s):  
Crystal Structure ◽  
Molecular Structures ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Bromo Compound

Untersuchungen an Stickstoff-Brom-Verbindungen, IV / Studies on Nitrogen-Bromine Compounds, IV

1977 ◽  
Vol 32 (12) ◽  
pp. 1416-1420 ◽  
Author(s):  
Omar Jabay ◽  
Hans Pritzkow ◽  
Jochen Jander
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Structure Analysis ◽  
Electron Acceptors ◽  
Molecular Structures ◽  
Hydrogen Atoms ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Solid Nitrogen ◽  
Intermolecular Contacts

The crystal and molecular structures of N-bromobenzamide (NBB), N-bromosuccinimide (NBS), and N,N-dibromobenzenesulfonamide (NBBS) were determined by X-ray structure analysis. The nitrogen atoms in NBB and NBS have a trigonal planar coordination (sp2) and the N—Br distances lie in the same range (1.82 A, 1.84 A). The N—Br distance in NBBS, where the nitrogen atom is sp3-hybridized, is somewhat longer (1.88 A). In these structures the molecules are connected by O···H—N (NBB), O···Br—N (NBS) or N···Br—N (NBBS) intermolecular bonds forming endless chains; positivated hydrogen atoms or, in case that they are absent, positivated bromine atoms act as electron acceptors with oxygen or sp3- hybridized nitrogen atoms. These results suggest, that in solid nitrogen tribromide, the crystal structure of which cannot be determined, the nitrogen atoms will be sp3-hybridized and intermolecular contacts via N—Br···N will occur.

Arsenic(III), Antimony (III) and Bismuth(III) Thiobenzoates: Crystal and Molecular Structures of M(SOCR)3 and PhSb(SOCPh)2

1998 ◽  
Vol 53 (12) ◽  
pp. 1475-1482 ◽  
Author(s):  
Prit Singh ◽  
Sudha Singh ◽  
Vishnu D. Gupta ◽  
Heinrich Nöth
Keyword(s):  
Crystal Structure ◽  
Molecular Structures ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Covalently Bonded ◽  
Bismuth Complex ◽  
Group 15 ◽  
Structure Determinations ◽  
Trigonal Pyramid ◽  
Trigonal Prisms

Abstract Tris-thiobenzoates, Arsenic, Antimony, Bismuth Tris-thiobenzoates of arsenic, antimony and bismuth, M(SOCR)3 have been obtained from their oxides and characterized. In the X-ray crystal structure determinations of these, the group 15 atom and the three covalently bonded sulfur atoms are found to constitute a trigonal pyramid, the central atoms lie at a C3 axis. In the bismuth complex the thiobenzoate ligand tends to chelate. However, three comparatively short intermolecular M···S interactions are significant features for these molecules resulting in stacking of trigonal prisms providing an essentially six coordinate environment around arsenic and antimony and a nine-coordinate one for bismuth. The structure of PhSb(SOCPh)2 can be considered

Synthese und Kristallstruktur von Iodmethyltriphenylphosphonium-iodid (C6H5)3PCH2I+I- / Synthesis and Crystal Structure of Iodomethyltriphenylphosphonium Iodide (C6H5)3PCH2I+I-

1993 ◽  
Vol 48 (12) ◽  
pp. 1760-1766 ◽  
Author(s):  
H. Vogt ◽  
K. Lauritsen ◽  
L. Riesel ◽  
M. von Löwis ◽  
G. Reck
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Colourless Needle ◽  
Molecular Structures ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Mndo Calculations ◽  
Good Agreement

Iodomethyltriphenylphosphonium iodide, (C6H5)3PCH2I+I-, has been prepared by the reaction of (C6H5)3P with CH2I2 in dichloromethane forming colourless needle like crystals. The crystal and molecular structures have been determined by an X-ray structure analysis. The crystals are orthorhombic, space group Pca21, Z = 8; a = 1478,8(3) pm, b = 1249,3(3) pm, c = 2053,2(3) pm. R = 0.050 for 3219 observed reflections with I ≥ 2 σ(Ι). In the solid state the title compound exists as two discrete monomeric units, (C6H5)3PCH2I+I-. In both symmetry independent units the I-I distances are surprisingly short with 346,5(1) pm and 356,3(1) pm. For the title compound the results of AM 1, PM 3, and MNDO calculations are in good agreement with corresponding values determined by the X-ray analysis.

Crystal and Molecular Structures of the Sulfurization and Selenation Products of Bis[bis(trimethylsilyl)amino]germanium(II). Crystal Structure of (Triphenylphosphine)gold(I) Bis(trimethylsilyl)amide

2000 ◽  
Vol 55 (5) ◽  
pp. 347-351 ◽  
Author(s):  
Gerald L. Wegner ◽  
Alexander Jockisch ◽  
Annette Schier ◽  
Hubert Schmidbaur
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Elemental Sulfur ◽  
Crystal Structure Analysis ◽  
Molecular Structures ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Planar Configuration ◽  
High Yields ◽  
Single Crystal Structure Analysis

Treatment of bis[bis(trimethylsilyl)amino]germanium(II) with elemental sulfur or selenium affords high yields of the corresponding monosulfide [(Me3Si)2N]2GeS and selenide [(Me3Si)2N]2GeSe, respectively. The crystalline products have now been shown to be cyclic dimers with (GeS/Se)2 four-membered rings by X-ray single crystal structure analysis. The crystal structure of (triphenylphosphine)gold(I) bis(trimethylsilyl)amide (Ph3P)Au-N(SiMe3)2 has also been determined. The molecule is a monomer with a tricoordinate nitrogen atom in a planar configuration [Si2NAu]. The compound does not undergo insertion of the bis[bis(trimethylsilyl)amino]germylene.

Convenient synthesis, X-ray crystal structure, and Raman spectrum of the heptasulphide dianion, S72−, in [PPN]2S7•2EtOH

1986 ◽  
Vol 64 (8) ◽  
pp. 1509-1513 ◽  
Author(s):  
Tristram Chivers ◽  
Frank Edelmann ◽  
John F. Richardson ◽  
Kenneth J. Schmidt
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Molecular Structures ◽  
High Yield ◽  
Torsion Angles ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Convenient Synthesis ◽  
Stretching Vibrations

The S72− ion is readily prepared in high yield by the reaction of [PPN]SH with cyclo-S8 in ethanol. The crystal and molecular structures of [PPN]2S7•2EtOH have been determined by X-ray crystallography. The crystals are monoclinic and belong to the space group P21, a = 13.199(2), b = 19.414(2), c = 14.046(2) Å, β = 94.027(6)°, V = 3590.3(7) Å3, Z = 2. The final R and Rw values were 0.064 and 0.060, respectively. The S72− ion is an unbranched chain of sulphur atoms in the cis,trans,cis-configuration with torsion angles of 89.99(18), 71.84(16), 76.54(16), and 94.19(18)°. The S—S distances (in Å) become progressively smaller in the sequence d(S—S central) [2.072(3) and 2.070(3)] > d(S—S internal) [2.050(2) and 2.037(3)] > d(S—S) terminal [2.044(3) and 2.026(4)]. The Raman spectrum of the S72− ion in [PPN]2S7•2EtOH exhibits characteristic S—S stretching vibrations at 503, 453, 419, and 395 cm−1.

Crystal structure and diffraction data for a polymorph of voglibose (C10H21NO7)

2010 ◽  
Vol 25 (S1) ◽  
pp. S28-S30
Author(s):  
G. Q. Zhang ◽  
G. L. Lv
Keyword(s):  
Crystal Structure ◽  
Simulated Annealing ◽  
Rigid Body ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Molecular Structures ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Crystal And Molecular Structures

X-ray powder diffraction data of voglibose are reported, and its crystal and molecular structures were determined by simulated annealing and rigid-body Rietveld refinement methods. Voglibose was found to be crystallized in triclinic symmetry with space group P-1. The lattice parameters were determined to be a=6.1974(6) Å, b=6.9918(5) Å, c=7.3955(9) Å, α=70.8628(3), β=103.5312(4), γ=94.3867(5)°, V=294.2(2) Å3, and ρcal=1.495 g/cm3. The crystal structure contains isolated C10H21NO7 molecular.

Cluster chemistry. V. Reactions between [Ru3(CO)11(CNBut)] and [Pt(η-C2H4)(PPh3)2] and related chemistry : Crystal and molecular structures of Di-μ-carbonyl-[μ-carbonyl-bis {(triphenylphosphine)platinum}]dicarbonyl(triphenylphosphine)ruthenium(2Ru-Pt)(Pt-Pt), [RuPt2(CO)5(PPh3)3], and its benzene solvate

1982 ◽  
Vol 35 (4) ◽  
pp. 687 ◽  
Author(s):  
MI Bruce ◽  
JG Matisons ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Cluster Chemistry ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Analogous Compound ◽  
Benzene Solvate ◽  
Unstable Intermediate

The reaction between [Ru3(CO)11(CNBut)] and [Pt(η-C2H4)(PPh3)2] at -30° affords a thermally unstable intermediate complex (A), which decomposes at room temperature affording, inter alia, [Ru2Pt(CO)7(PPhd3)3 (1), [RuPt2(CO)5(PPh3)3] (2), [RuPt2(CO)6(CNBut)(PPh3)] (5) and [Ru2Pt2- (CO)9(CNBut)(PPh3)] (6). The hexanuclear complexes [Ru2Pt4(CO)5-n(CNBut)(PPh3)4+n] [n = 0 (17) and 1 (18)] are obtained, with [Ru2Pt(CO)5(CNBut)(PPh3)4] (16), from reactions at 80°. Related Ru2Pt and RuPt, complexes are obtained from reactions between complex (A) and CO, CNBut, Pme3, P(C6H4Me-p)3, or P(OMe)3; related reactions between [Ru3(CO)11(CNBut)] and [Pt{P(C6H4Me-p)3}4], and between [Ru3(CO)10(CNBut)2] and [Pt(η-C2H4)(PPh3)2, are also described. The crystal structure of [RuPt2(CO)5(PPh3)3] has been determined by single-crystal X-ray diffraction methods at 295(1) K and refined by least squares to a residual of 0.035 for 6774 'observed' reflections. Crystals are triclinic, P 1, a 15.893(5), b 15.400(5), c 12.651(4) Ǻ, α 57.04(2), β 77.09(3), γ 84.10(3)°, Z 2. Crystals of the dibenzene solvate of the complex are monoclinic, P 21/c, a 11.868(4), b 18.647(8), c 29.24(1) A, β 98.35(3)°, Z 4, the structure being refined to a residual of 0.057 for 4530 'observed' reflections. Ligand dispositions are compared in detail with those observed in the analogous compound previously described with the methyldiphenylphosphine Iigand.

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