Structure ofcis-2,4-bis (trichloromethyl)-1,3,5,-trioxane |
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Authors: | Anne Irving Harry M N H Irving |
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Institution: | (1) Department of Physical Chemistry, University of Cape Town, Rondebosch 7700, Cape Province, South Africa |
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Abstract: | cis-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,=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)°. |
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