title: 1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate.
abstract: 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.
authors.affiliation: Department of Chemistry, Southeast Missouri State University, Cape Girardeau, MO 63701, USA. bahathaway@semo.edu
authors.forename: Bruce A
authors.initials: BA
authors.lastname: Hathaway
authors.forename: Uriah J
authors.initials: UJ
authors.lastname: Kilgore
authors.forename: Marcus R
authors.initials: MR
authors.lastname: Bond