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  • 1970-1974  (3)
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Material
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Year
  • 1
    Electronic Resource
    Electronic Resource
    Crystal structure ofp-toluidinium bifluoride (1971)
    Springer
    Journal of chemical crystallography 1 (1971), S. 311-318 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract p-toluidinium bifluoride crystallizes in the orthorhombic space groupPbca, witha = 7·161,b = 18·405,c = 11·824 Å andZ= 8. The structure was solved by direct methods from X-ray counter data measured with CuKα. radiation, and a finalR index of 0·052 was obtained for the 642 observed terms of the 1480 possible. Thep-toluidine molecule is fully protonated and the methyl group is either disordered, librating extensively or freely rotating. In the HF2 − ion the H atom is apparently centrally situated between the two fluorine atoms, and is obviously very delocalized; the F-H-F distance is 2·276 ± 0·005 Å. The structure consists of alternate layers ofp-toluidinium and hydrogenbifluoride ions with the latter hydrogen-bonded to the amine groupings.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01200805
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of the conjugated dienalp-Cl-C6H4-N(Ac)=CH-C(OAc)-CH=CH-CHO (1974)
    Springer
    Journal of chemical crystallography 4 (1974), S. 141-148 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of N,O-diacetyl-5-p-chloranilino-4-hydroxypenta-2,4-dienal, the degradation product from a Stenhouse salt, belong to the monoclinic space groupP21/c witha = 10.845,b = 17.607,c = 8.056 Å, β = 95.87 ° andZ = 4. The structure was solved by the heavy-atom method from intensity data measured out to 1.14 Å−1 with CuKα radiation. Hydrogen atoms were not located. A finalR of 0.098 for the 549 observed terms was attained. The molecule is in thetrans-trans conformation, and the non-hydrogen atoms in the pentadienal chain and N-acetyl group are almost co-planar. Thep-chloraniline and O-acetyl groups lie on the same side of the pentadienal skeleton, and their respective planes are approximately parallel and at right angles to the plane of the chain. The molecules in the crystal structure are held together by van der Waals' interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01197909
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Crystal structures of the dihydrogen hexafluorosilicate monohydrates ofp-bromoaniline andp-toluidine (1971)
    Springer
    Journal of chemical crystallography 1 (1971), S. 55-62 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Analysis of X-ray counter data for the dihydrogen hexafluorosilicate monohydrates ofp-bromoaniline, BrC6H4NH2.1/2H2SiF6.H2O, andp-toluidine, CH3C6H4NH2.1/2H2SiF6.H2O, has shown that the two compounds are isostructural and that the orthorhombic crystals belong to the space groupPbca, witha = 7·80,b = 24·45,c = 9·48 Å anda = 7·89,b = 23·87,c = 9·53 Å, respectively, there being eight molecules in each unitcell. Structure analysis was initiated by the heavy atom method, and subsequent difference syntheses, carried out on thep-bromoaniline compound, then on thep-toluidine analogue, revealed the entire structure apart from the hydrogen atoms. From a difference synthesis on data for thep-toluidine compound refined by full-matrix least-squares procedures, the hydrogen atom sites were located, a reliability index,R = 0·052, being attained. The structures are sheet-like with bi-polar grouping of amino groups on either side of sheets of SiF 6 2− groups and are cross-linked by ionic forces and hydrogen bonds. The SiF 6 2− ion is octahedral, with an average Si-F distance of 1·69 ± 0·02 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01200919
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    Paper (German National Licenses)
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