ISSN:
1572-8854
Source:
Springer Online Journal Archives 1860-2000
Topics:
Geosciences
,
Physics
Notes:
Abstract 6-nitro-2-trichloromethyl-1,3-benzdioxin-4-one is monoclinic,P21/n;a=5.969(2),b=11.646(1),c=16.953(1) Å;β=98.03(2)°;Z=4. 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 0.030 using 1530 reflections. The heterocyclic ring is a distorted half-boat and is substituted equatorially by a trichloromethyl group. Dihedral angles are (a) 4.87(7)° between the mean plane of the aromatic ring and the plane containing the two carbon atoms common to both rings plus the two atoms bonded to these, and (b) 16.8(2)° between the carbonyl group and the aromatic ring. The conformation is discussed with reference to the two previously reported X-ray structures of 1,3-benzdioxin-4-ones and to two isocoumarins.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01161048
