Abstract
6-Nitro-2,4-bis(dichloromethyl)-1,3-benzdioxin is monoclinic,P21/c, witha=8.514(1),b=22.187(3),c=7.931(1) A,β=117.96(1)°,Z=4. The structure was solved, from data collected with MoKα radiation on an Enraf-Nonius CAD4 diffractometer, by direct methods and refined by full-matrix least squares using 2170 unique reflections to give a finalR factor of 0.032. The heterocyclic ring in the title compound has an envelope conformation with thecis-dichloromethyl groups in pseudoequatorial positions. The average C-C(HCl2) distance is 1.516(4) A. A comparison is given with the structure of the analogous compound 6-nitro-2,4-bis(trichloromethyl)-1,3-benzdioxin (Irving, A., and Irving, H. M. N. H. (1986)J. Crystallogr. Spectrosc. Res.16, 703) which also containscis-halogenoalkyl groups but in which the −CCl3 group at the 4-position occupies a pseudoaxial position.
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