Synthese von 5-Methylthio-2-thioxo-1,3-dithiol-4-carbonsäureamiden und -thiolestern, 3-Alkyl-5-bis(alkylthio)methylen-2-thioxo-1,3-thiazol-4(5 H)-onen sowie Röntgenkristallstrukturanalyse des 5-Methylthio-2-thioxo-1,3-dithiol-4-carbonsäure-(N-methyl-anilids) / Synthesis of 5-Methylthio-2-thioxo-1,3-dithiole-4-carboxamides and -thiolesters, 3-Alkyl-5-bis(alkylthio)methylene-2-thioxo-1,3-thiazole-4(5 H)-ones, and X-ray Analysis of 5-Methylthio-2-thioxo-1,3-dithiole-4-carboxyl N-methyl-anilide

1991 ◽  
Vol 46 (9) ◽  
pp. 1251-1257 ◽  
Author(s):  
Wolfgang Dölling ◽  
Kerstin Friedemann ◽  
Frank Heinemann ◽  
Helmut Hartung
Keyword(s):  
Crystal Structure ◽  
Carbonyl Group ◽  
Carbon Disulfide ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Space Group ◽  
X Ray

5-Methylthio-2-thioxo-1,3-dithiole-4-carboxamides (2a–e), the methyl 5-methylthio-2-thioxo-1,3-dithiole-4-carboxythiolate (9), and 3-alkyl-5-bis(alkylthio)methylene-2-thioxo-1,3-thiazole-4(5 H)-ones (4a–f) are obtained by reaction of the corresponding N-substituted ethylxanthogen-acetamides (1, 3, 6) with carbon disulfide under basic conditions followed by alkylation.5-Methylthio-2-thioxo-1,3-dithiole-4-carboxyl N-methyl-anilide (2d) was characterized by an X-ray crystal structure determination (space group P 1̄, a = 877.3(1), b = 1111.1(2), c = 837.6(1) pm, α = 104.22(2), β = 110.41(1), γ = 69.64(2)°, Ζ = 2, R = 0.039 for 1746 observed unique reflections).The α-oxoketene dithioacetal moiety of the molecule exhibits a noticeable derivation from planarity by a twist of the carbonyl group out of the ethylene plane and shows a short intramolecular S ··· O contact of 277.1 (3) pm.

Die Kristallstruktur von [Na(12-Krone-4)2+]2Se82- · (Se6, Se7) / The Crystal Structure of [Na(12-Crown-4)2+]2Se82- · (Se6, Se7)

1991 ◽  
Vol 46 (10) ◽  
pp. 1287-1292 ◽  
Author(s):  
Rüdiger Staffel ◽  
Ulrich Müller ◽  
Andreas Ahle ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Disordered Structure

The title compound was prepared from sodium polyselenide and 12-crown-4 in DMF solution in the presence of cerium(III)chloride in the form of black needles. The crystal structure determination by X-ray diffraction shows a partially disordered structure, in which the anionic units Se82- · Se7 and Se82- · Se6 are present in the ratio 0.72/0.28. These units are associated to layers parallel to (100); the layers alternate with pseudohexagonal layers of [Na(12-crown-4)2]+ ions. Space group P1̅, Z = 2, 3903 observed unique reflections, R = 0.114, wR= 0.084. Lattice dimensions at -65°C: a = 1247.9(3), b = 1367.8(8), c = 1660(1) pm, α = 94.65(5), β = 98.94(3), γ = 91.10(3)°.

Die Kristallstruktur von [YbCl2(THF)5]+[WOCl4(THF)]- / Crystal Structure of [YbCl2(THF)5]+[WOCl4(THF)]-

1999 ◽  
Vol 54 (12) ◽  
pp. 1609-1610 ◽  
Author(s):  
M. Karl ◽  
G. Seybert ◽  
W. Massa ◽  
K. Dehnicke
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Chlorine Atoms ◽  
Space Group ◽  
X Ray ◽  
Ytterbium Atom ◽  
Moisture Sensitive ◽  
Tungsten Hexachloride

Blue moisture sensitive single crystals of [YbCl2(THF)5]+[WOCl4(THF)]- were obtained as a by-product from the reaction of the ytterbium trisamide Yb[N(SiMe3)2]3 with tungsten hexachloride in THF solution. The crystals were suitable for an X-ray crystal structure determination. Space group P2/c, Z = 2, lattice dimensions at -80 °C: a = 1192.5(1), b = 1117.1(1), c = 1349.9(1) pm, ß = 104.115(7)°, R = 0.0424. The structure consists of cations [YbCl2(THF)5]+ in which the ytterbium atom is coordinated in a pentagonalbipyramidal way by the chlorine atoms in the axial positions and by the oxygen atoms of the THF molecules in equatorial positions. Counterions are the well-known [WOCl4(THF)]- ions.

scholarly journals Die Kristallstruktur von Calciumhexacyanoferrat(II)- Hexamethylentetramin-Wasser(1/1/6) Ca2 [Fe(CN)6] · C6H12N4 · 6H2O / The Crystal Structure of Calciumhexacyanoferrate(II)- Hexamethylenetetramine-Water(1/1/6) Ca2[Fe(CN)6] · C 6H12N4 · 6H2O

1988 ◽  
Vol 43 (2) ◽  
pp. 135-137 ◽  
Author(s):  
H.-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Unit Cell ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

Ca2[Fe(CN)6] · C6H12N4 · 6H2O crystallizes in the monoclinic space group B2/b with a = 1130,2(4), b = 1373,5(4), c = 1353,0(4) pm and γ = 97,17°. The X-ray single crystal structure determination converged at R = 0.055 (2057 reflections). Each of the four Fe(CN)6 octahedra (Z = 4) in the unit cell is coordinated by six Ca atoms with mean NCYAN - Ca distances of 253.5(3) pm. The Ca atoms are bridged by hexamethylenetetramine and water molecules

Notizen: Notiz zur Kristallstruktur von APb2Cl5-Verbindungen / Notice about Crystal Structures of APb2Cl5-Compounds

1976 ◽  
Vol 31 (6) ◽  
pp. 885 ◽  
Author(s):  
H.-L. Keller.
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Single crystals of TlPb2Cl5 and NH4Pb2Cl5 were prepared. X-ray diffraction data confirm the space group C2h5—P21/c (No. 14). Crystal structure determination shows a new typ, belonging to the PbCl2-structure.

Die Oxochlorovanadate PPh4[VOCl3OH], PPh4[VOCl4], (PPh4 )2 [VOCl4 ]·2CH3CN und (PPh4)2[VOCl4]·CH3CN mit auffälligen Abweichungen von der quadratisch-pyramidalen Anionenstruktur / The Oxochlorovanadates PPh4[VOCl3OH], PPh4[VOCl4], (PPh4 )2 [VOCl4 ]·2CH3CN and (PPh4)2[VOCl4]·CH3CN with Remarkable Deviations from the Square-Pyramidal Anion Structure

1999 ◽  
Vol 54 (5) ◽  
pp. 591-596 ◽  
Author(s):  
Andrea Noll ◽  
Susanne Rabe ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Mother Liquor ◽  
Crystal Structure Determination ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal

Starting from vanadium which was not free of oxide, VCl4 was prepared; its reaction with PPh4Cl in the presence of K2S5 in dichloromethane yielded PPh4[VOCl3OH]. From V2S5, PPh4Cl and S2Cl2 in acetonitrile, sulfur crystallized first, then PPh4[VOCl4], and then (PPh4)2[VOCl4]·4CH3CN. Upon standing with the mother liquor at -18°C, the latter was converted to (PPh4)2[VOCl4]·2CH3CN. According to its X-ray crystal structure determination, PPh4[VOCl3OH] (space group Pbca, a = 1105.5, b = 1920.8, c = 2242.8 pm, Z - 8) has nearly square-pyramidal anions that are associated to chains by 0-H⋯C1 bridges. PPh4[VOCl4] is isotypic with AsPh4[VOCl4] and has strictly square-pyramidal anions (space group P4/n, a = 1254.0, c = 765.0 pm, Z = 2). In (PPh2)2[VOCl4]·4CH3CN (space group P1̄, a = 1281.3, b = 1276.6, c = 1841.5 pm, α = 84.11°, β= 83.96, γ = 64.31°, Z = 2) the square pyramid of the VOCl42- ion is distorted towards a trigonal-bipyramidal shape (C2v symmetry) having trans-ClVCl angles of 145.88° and 156.87° and O=V-Cl angles of 107° and 101.6°. In (PPh4)2[VOCl4]·2CH3CN (space group P1, a = 1017.1, b = 1029.3, c = 2416.0, α = 77.74°, ß = 79.99°, γ = 78.94°, Z = 2), the VOCl42- structure is even closer to trigonal-bipyramidal, with trans-ClVCl angles of 133.25° and 165.80° and 0=V-Cl angles of 113.3° and 97°.

Powder diffraction data for copper hexafluorides: Ba2CuF6 and Pb2CuF6

1995 ◽  
Vol 10 (3) ◽  
pp. 221-222
Author(s):  
Maurice Samouël ◽  
Patrick Gredin ◽  
Ariel de Kozak
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Based on the crystal structure determination of orthorhombic Ba2CuF6 (space group Cmca), the previous X-ray powder patterns given for Ba2CuF6 (PDF 21-809) and Pb2CuF6 (PDF 22-654) are reindexed.

Crystal structure determination of 2-oxo-3-benzoyloxazolo[3,2-a]pyridine from X-ray powder data

2000 ◽  
Vol 215 (5) ◽  
Author(s):  
S.G. Zhukov ◽  
E.V. Babaev ◽  
V.V. Chernyshev ◽  
V. Rybakov ◽  
E.J. Sonneveld ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Crystal Symmetry ◽  
Crystal Structure Determination ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Mesoionic Compound

The crystal structure of the mesoionic compound 2-oxo-3-benzoyloxazolo[3,2-a]pyridine (CThe crystal symmetry is orthorhombic (space group Pna2

Synthese und Kristallstrukturbestimmung von Cs([18]Krone-6)Au · 8NH3/ Synthesis and Crystal Structure Determination of Cs([18]crown-6)Au· 8NH3

2006 ◽  
Vol 61 (10) ◽  
pp. 1205-1208 ◽  
Author(s):  
Hanne Nuss ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Liquid Ammonia ◽  
Crystal Structure Determination ◽  
Temperature Sensitive ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

Cs([18]crown-6)Au ・ 8NH3 was synthesized from CsAu and [18]crown-6 in liquid ammonia. The extremely air- and temperature-sensitive colorless, block-shaped crystals were analyzed by single crystal X-ray diffractometry. The compound forms triclinic crystals of space group P1 (no. 1) with a = 8.765(2), b = 11.186(2), c = 13.997(3) Å , α = 86.180(6), β = 89.669(6), γ = 83.774(6)°, V = 1361.2(4) Å3. The crystal structure consists of ammonia nets extending perpendicular to [110] in which the Cs([18]crown-6) fragments and the auride anions are embedded

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

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