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  • hydrogen bonding  (3)
  • Thiophene  (1)
  • 1
    Digitale Medien
    Digitale Medien
    The crystal structure of 2-amino-5,5′-bis(β-cyanoethyl)-1,2-pyrrolenineN-oxide monohydrate (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 569-571 
    Details
    ISSN: 1572-8854
    Schlagwort(e): PyrrolenineN-oxide ; hydrogen bonding
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract 2-Amino-5,5′-di(β-cyanoethyl)-1,2-pyrrolenineN-oxide monohydrate, C10H14N4O·H2O, crystallizes from MeCN in space group P212121 witha=7.0007(5),b=8.2998(6),c=20.8418(13) Å,V=1211.0(2) Å3,Z=4. The structure was refined toR=0.034 andR w=0.044 for 2325 observed reflections. The pyrrolenine ring adopts a nearly planar conformation, with maximum deviation from planarity 0.089(2) Å. The N−O distance is 1.345(2) Å. The water molecule bridges two pyrrolenine molecules via hydrogen bonds to theirN-oxide oxygen atoms, and also accepts a hydrogen bond from the NH2 group of another pyrrolenine molecule.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01667025
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  • 2
    Digitale Medien
    Digitale Medien
    Investigations of dehydroepiandrosterone. Part I: crystal structure of sublimed DHEA (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 483-487 
    Details
    ISSN: 1572-8854
    Schlagwort(e): Steroid conformation ; hydrogen bonding
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of an orthorhombic polymorph of the title compound, crystallized by sublimation, has been determined. Dehydroepiandrosterone, C19H28O2, space groupP212121 witha=6.6408(4)b=11.4423(11)c=22.085(2)Å,V=1678.2(4)Å3,Z=4. The structure was refined toR=0.051 for 2645 observed reflections. The conformation of the molecule is similar to that found in other polymorphs and solvates, with a chair A ring, an 8β, 9α half-chair B ring, a chair C ring, and a 14α envelope D ring. Molecules are linked in chains by OH...O hydrogen bonds involving the carbonyl oxygen atom. The O...O distance is 2.855(3) Å, and the angle about H is 171(2)o.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01668309
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  • 3
    Digitale Medien
    Digitale Medien
    Molecular structures of two conjugated ene-ynes derived from thiophene (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 607-613 
    Details
    ISSN: 1572-8854
    Schlagwort(e): Thiophene ; conjugated ene-ynes
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structures of two conjugated ene-yne derivatives of thiophene are described, 2,5-di-(trimethylsilylethynyl)-3,4-dibromothiophene (1), is triclinic P $$\bar 1$$ witha=6.3281(4)Å,b=9.7421(6)Å,c=16.3669(9)Å; α=80.516(5)°, β=84.810(5)°, γ=74.072(5)°,Z=2,R=0.054; 2,3,4,5-tetra(trimethylsilylethynyl)thiophene (2), is monoclinic, P21/c with a=20.928(2)Å b=5.852(1)Å,c=23.907(2)Å; β=100.245(6)°,Z=4,R=0.049. The ethynylic C atoms of both compounds lie near the thiophene plane, with deviations in the range 0.010(3)–0.455(4)Å. The phenyl groups of2 form a dihedral angle of 13.0(4)°.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01668621
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  • 4
    Digitale Medien
    Digitale Medien
    Inclusion of water by a crown amide. First crystal structure of a respective host-guest combination (1988)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 6 (1988), S. 1-7 
    Details
    ISSN: 1573-1111
    Schlagwort(e): Crown amide ; host-guest complex ; water inclusion ; crystal structure ; hydrogen bonding
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Crown amide (1) forms a stoicheiometric 1:1 inclusion complex with water, the X-ray crystal structure of which is reported. Crystals of1 · H2O are triclinic, space groupP1, witha=7.503(1),b=11.394(3),c=13.443(2) Å, α=107.066(18), β=96.627(10), γ=106.377(14)°, andZ=2.R F =0.039 for 1697 MoKα reflections [I〉3σ(I)] measured at 24°C. The structure features a hydrogen bonded hostguest relationship with concrete1 · H2O units. Hydrogen bonds are between the water oxygen and O(4), N(4), respectively. The crystal packing shows a cavity arrangement of four ligands around each water molecule.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00659363
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