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The Molecular and Crystal Structure of 1Ref, 3trans‐bis (4‐chlorophenyl)‐2cis‐nitro‐5‐oxo‐perhydropyrazolo [1,2‐a]pyrazol
Author(s) -
Kutschabsky L.,
Kretschmer R. G.,
Dorn H.
Publication year - 1979
Publication title -
kristall und technik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0023-4753
DOI - 10.1002/crat.19790141203
Subject(s) - monoclinic crystal system , molecule , crystal structure , crystallography , chemistry , nitro , group (periodic table) , stereochemistry , organic chemistry , alkyl
The structure of the title compound has been determined by means of an X‐ray analysis. This product has been obtained by a 1,3‐dipolar cycloaddition according to the concerted [π 4 S + π 2 S]‐mechanism. The substance crystallizes in the monoclinic space group C 2/c with 8 molecules in the unit cell of dimensions a = 23.587; b = 11.789; c = 12.932 Å; β = 95.47°. The molecular structure determined by X‐ray analysis agrees with the results of the chemical investigations. The final R ‐value is 0.081.