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Structure cristalline et moléculaire de la cyano-5 triméthyl-4,4,6 nitrométhylène-2 oxo-3 tetrahydro-1,2,3,4 pyridine et de l'(acétoxy-1 nitro-2 vinyl)-5 dicyano-3,5 diméthyl-4,4 pyrazoline-2-(z)

✍ Scribed by J. P. Declercq; G. Germain; M. van Meerssche; M. Hajek; A. Kurfürst

Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
264 KB
Volume
90
Category
Article
ISSN
0037-9646

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✦ Synopsis

Abstract

The crystal structure of 5‐cyano‐4,4,6‐trimethyl‐2‐nitromethylene‐3‐oxo‐1,2,3,4‐tetrahydropyridine (compound I) and (Z)‐5‐(1‐acetoxy‐2‐nitroviny1)‐3,5‐dicyano‐4,4‐dimethyl‐2‐pyrazoline (compound II) has been determined by X‐ray diffraction analysis. The direct solution of the structures were performed by the MULTAN 80 method and refined by least squares to R‐value of 0.044 (I) and 0.069 (II) respectively, for 672 (I) and 958 (II) independent observed reflections.

The crystals of (1) are monoclinic, space group __P__2~1~, with a=6.718(5), b=6.464(5), c=15.713(10)Å, β=128.23(5)° and Z=2. The crystals of (II) are orthorhombic, space group Pbca, with a=12.040(6), b=12.808(6), c=16.821(9)Å and Z=8.

The obtained distances and angles of the pyrazoline ring are in good agreement with the literature data.

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