Journal article
Structure of a 2'-oxo-8.1'-neolignan
Acta crystallographica. Section C, Crystal structure communications, Vol.49(4), pp.770-772
04/15/1993
DOI: 10.1107/S0108270192009557
Abstract
DELTA8-1',2'-Dihydro-3,4,3',4'-bismethylenedioxy-2'-oxo-8.1-neolignan [6-allyl-6-(1,3-benzodioxol-5-ylpropylene)-1, 3-benzodioxol-5(6H)-one], C20H20O5, M(r) = 340.38, orthorhombic, P2(1)2(1)2(1), a = 6.628 (4), b = 12.604 (6), c = 20.774 (11) angstrom, V = 1735 (3) angstrom, Z = 4, D(x) = 1.308 g cm-3 lambda(Mo Kalpha)= 0.7107 angstrom, mu = 0.876, F(000) = 720, T = 295K, R = 0.032, wR = 0.041 for 972 unique reflections. The analysis confirmed the structure of this new 2'-oxo-8.1'-neolignan, originally proposed on the basis of NMR data, and established the relative stereochemistry. No hydrogen bonding was observed; the closest intermolecular contact was between O2 and O4 (O atoms in the 1-position on each 1,3-benzodioxole) at 2.99 angstrom. The molecule has a bent conformation with a dihedral angle of 51.2 (1)degrees between the two planes defined by the aromatic rings.
Details
- Title: Subtitle
- Structure of a 2'-oxo-8.1'-neolignan
- Creators
- D. L GalinisD. C SwensonD. F Wiemer
- Resource Type
- Journal article
- Publication Details
- Acta crystallographica. Section C, Crystal structure communications, Vol.49(4), pp.770-772
- DOI
- 10.1107/S0108270192009557
- ISSN
- 0108-2701
- eISSN
- 1600-5759
- Language
- English
- Date published
- 04/15/1993
- Academic Unit
- Neuroscience and Pharmacology; Chemistry
- Record Identifier
- 9983985869902771
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