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  • 1
    ISSN: 1434-4475
    Keywords: Benzene derivatives ; Tetracyanoethylene oxide ; 1,3-Dipolar cycloaddition
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Es wurden die Reaktionen von Tetracyanoethylenoxid mit Toluol, Chlorbenzol, Fluorbenzol, Anisol und Nitrobenzol untersucht. Toluol und die Halogenbenzole ergaben Mischungen von Monoaddukten, Anisol ergabp-Methoxyphenylmalononitril und sein Dimer, Nitrobenzol zeigte keine Reaktion. Diese Resultate werden mit Hilfe eines qualitativen Orbitalmodells diskutiert. Die Analyse einiger Monoaddukte erfolgte mittels1H-NMR-Analyse.
    Notes: Summary The reaction of tetracyanoethylene oxide on one hand and toluene, chlorobenzene, fluorobenzene, anisole, and nitrobenzene, on the other, has been studied. Toluene and the halogenobenzenes yield mixtures of monoadducts, anisole yieldp-methoxyphenylmalononitrile and its dimer and nitrobenzene does not react. These results are discussed with the help of a qualitative orbital model.1H-NMR analysis of some monoadducts has been carried out.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 637-645 
    ISSN: 0894-3230
    Keywords: 3-nitropyrazole ; structure ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: ---The molecular and crystal structure of 3-nitropyrazole was determined by X-ray analysis. The triclinic unit cell contains 12 molecules which form four hydrogen-bonded (N - H···N) trimers. Each trimer comprises of pseudo-ring in a flattened envelope distorted towards a chair conformation. The crystal packing consists of layers formed by centrosymmetric related trimers joined through C - H···O interactions. Ab initio calculations were performed on 3(5)-nitro- and 4-nitropyrazole and their corresponding protonated forms up to the MP2/6-31G** level of theory. The origin of the difference in aqueous basicities between both nitropyrazoles is discussed. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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