Abstract
The crystal structure of N-(3,9-dimethyl-4-phenyl-2,5-dioxo-3,4-dihydro-2H,5H-pyrano[3,2-c]chromen-3-yl)-N-methylbenzamide methanol monosolvate, C28H23NO5·CH3OH, has been determined at room temperature by X-ray diffraction. Structural parameters are discussed with reference to ab initio calculations.
Highlights
A functionalized enol lactone containing a protected a-amino acid a a Giuseppe Bruno, Francesco Nicoló, * Massimiliano
Structural parameters are discussed with reference to ab initio calculations
For the GAUSSIAN98 software used for the ab initio calculations, see: Frisch et al (1998)
Summary
A functionalized enol lactone containing a protected a-amino acid a a Giuseppe Bruno, Francesco Nicoló, * Massimiliano. Min = 0.31 e Å3 a Dipartimento di Chimica Inorganica Chimica Analitica e Chimica Fisica, Universitá degli Studi di Messina, Via Salita Sperone 31, I-98166 Vill. S. Agata, Messina, Italy, and bDipartimento di Chimica Organica e Biologica, Universitá degli Studi di Messina, Via Salita Sperone 31, I-98166 Vill. Structural parameters are discussed with reference to ab initio calculations. For structures containing enol lactone fragments, see: Murray et al (1982); Harborne & Baxter (1999); Qabaja et al (2000). For related structures containing a coumarin fragment, see: Yu et al (2003). For related furan-5-one structures, see: Grassi et al (2002). For the GAUSSIAN98 software used for the ab initio calculations, see: Frisch et al (1998). Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JH2217)
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