Crystal structure of spiro [2-benzoyl-cyclohexyl-4,5-diphenylpyrrolidine-3,3 '-chroman-4-one]

Citation
S. Thinagar et al., Crystal structure of spiro [2-benzoyl-cyclohexyl-4,5-diphenylpyrrolidine-3,3 '-chroman-4-one], CRYST RES T, 35(8), 2000, pp. 979-986
Citations number
9
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CRYSTAL RESEARCH AND TECHNOLOGY
ISSN journal
02321300 → ACNP
Volume
35
Issue
8
Year of publication
2000
Pages
979 - 986
Database
ISI
SICI code
0232-1300(2000)35:8<979:CSOS[>2.0.ZU;2-O
Abstract
3-Phenyl-chroman-4-one is the basic unit of isoflavonoids which are found i n the plants of the subfamily papilionoidae of Leguminosae. They are known to possess antifungal and antibacterial properties. Crystal data of the tit le compound : Monoclinic, space group P2(1)/c, a = 14.021(3), b = 18.682(4) , c = 11.362(2) Angstrom, beta = 95.75(3)degrees, R = 0.066. The two phenyl rings directly attached to the pyrrolidine ring are nearly perpendicular t o it. The dihydropyrone moiety adopts a half-chair conformation while the c yclohexane ring attached to the pyrrolidine ring adopts a chair conformatio n. The best plane passing through the chroman-4-one moiety makes a dihedral angle of 82.2(3)degrees with the pyrrolidine ring. The molecule is stabili zed by one intra- and two intermolecular C-H...O hydrogen bonds.