1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate.
The molecular structure of the title triester compound, C(17)H(20)O(8), consists of a benzodioxole fused-ring system, an ethoxycarbonylmethyl group and two methoxycarbonyl groups arranged around a tetrahedral carbon center. Unlike similar triesters, which are oils, the title compound crystallizes at room temperature as interdigitated bilayers of triester molecules, with short O...H contacts from the methylene H atoms of benzodioxole to the carbonyl O atom of the ethoxycarbonylmethyl group and to a ring O atom of the benzodioxole group of a neighboring molecule within the bilayer. The persistence of these short C-H...O interactions from the activated H atoms of the benzodioxole ring at both 100 and 300 K indicate that they help provide the stabilization necessary for crystallization from the oil.
Hathaway
Bruce A
BA
Department of Chemistry, Southeast Missouri State University, Cape Girardeau, MO 63701, USA. bahathaway@semo.edu
Kilgore
Uriah J
UJ
Bond
Marcus R
MR