A. Irving, H. Irving
Dec 1, 1987
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0
Influential Citations
2
Citations
Journal
Journal of Crystallographic and Spectroscopic Research
Abstract
Abstractcis-2,4-Bis(trichloromethyl)-1,3,5-trioxane is monoclinic,C2/c, a=19.432(4),b=5.895(1),c=20.721(6) Å,β=100.66(2)°,Z=8. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by least-squares to a finalR value of 0.034 using 1786 reflections. The molecule is in the chair conformation with the −CCl3 groups located equatorially [at C(2) and C(6) in the numbering scheme used in the paper]. Endocyclic parameters quoted cyclically are O(1)-C(2) 1.418(3), C(2)-O(3) 1.387(3), O(3)-C(4) 1.419(3), C(4)-O(5) 1.416(3), O(5)-C(6) 1.391(4), C(6)-O(1) 1.415(3) Å; and angles at O(1) 108.7(2), C(2) 110.5(2), O(3) 110.1(2), C(4) 109.5(2), O(5) 109.9(2), C(6) 110.5(2)°. The average endocyclic torsion angle is 59.1(5)°.