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  • 1965-1969  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 215-218 
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The structures of 1-methyl-3-nitropyrazole and 1-methyl-4-nitropyrazole, C4H5N3O2, have been determined. The 3-nitro derivative has crystallographic m-symmetry while the 4-nitro compound has no imposed symmetry. The significant differences in bond distances and angles between the structures are ascribable to the electron-withdrawing effects of the nitro group attached to C3 or C4, respectively. In both structures, the molecules are organized into layers by an extensive network of C—H...O or C—H...N hydrogen interactions. Within a layer, the molecules are arranged in a similar way, although differences of up to 0.3 Å in the analogous H...O or H...N intermolecular distances are observed. The cohesion of the layers is due to van der Waals and C—H...O contacts.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 0030-4921
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The non-equivalence of ethyl, benzyl and isopropyl groups fixed on nitrogen atoms in 2-and 3-pyrazolines, pyrazolidines and pyrazolidones depends on the assymetry existing in the molecule. The asymmetric centres are either a ring carbon atom, a quaternary nitrogen atom (protonation, quaternarization) or a tertiary nitrogen atom (slow nitrogen inversion). The nitrogen inversion process was observed only in the case of pyrazolidines (possibility of inversion at the two adjacent nitrogens) and of pyrazolidones (inversion of the ‘non-amidic’ nitrogen). The inversion is temperature-dependent and is affected by substituents.
    Notes: La non-équivalence de groupements éthyle, benzyle et isopropyle fixés sur les azotes de pyrazolines-2 et 3, de pyrazolidines et de pyrazolidones est fonction de l'asymétrie existant dans la molécule. Celle-ci peut provenir soit d'un carbone du cycle, soit de l'un des azotes rendu asymétrique par protonation, quaternarisation ou simplement par ralentissement de son inversion, Ce dernier phénomène n'a été observé que dans le cas des pyrazolidines (possibilité d'inversion de deux azotes adjacents) et des pyrazolidones (inversion de l'azote non amidique): il est fonction des substitutions et des variations de température.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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