1-Ethyl 2,2-dimethyl 3-(1,3-benzodioxol-5-yl)propane-1,2,2-tricarboxylate

The molecular structure of the title triester compound, C17H20O8, 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...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2008-08, Vol.64 (8), p.o456-o458
Hauptverfasser: Hathaway, Bruce A., Kilgore, Uriah J., Bond, Marcus R.
Format: Artikel
Sprache:eng
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Zusammenfassung:The molecular structure of the title triester compound, C17H20O8, 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.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270108021392