Crystal Research and Technology
Cryst. Res. Technol. 35 (2000) 979 - Abstract -

S. Thinagar, D. Velmurugan, A. Amalraj*, R. Raghunathan*

Department of Crystallography and Biophysics, University of Madras, Guindy Campus, India
*Department of Organic Chemistry, University of Madras, Guindy Campus, India

Crystal Structure of Spiro[2-benzoyl-cyclohexyl-4,5-diphenylpyrrolidine-3,3’-chroman-4-one]

3-Phenyl-chroman-4-one is the basic unit of isoflavonoids which are found in the plants of the sub-family papilionoidae of Leguminosae. They are known to possess antifungal and antibacterial properties. Crystal data of the title compound : Monoclinic, space group P21/c, a = 14.021(3), b = 18.682(4), c = 11.362(2) Å, beta = 95.75(3)°, R = 0.066. The two phenyl rings directly attached to the pyrrolidine ring are nearly perpendicular to it. The dihydropyrone moiety adopts a half-chair conformation while the cyclohexane ring attached to the pyrrolidine ring adopts a chair conformation. The best plane passing through the chroman-4-one moiety makes a dihedral angle of 82.2(3)° with the pyrrolidine ring. The molecule is stabilized by one intra- and two intermolecular C-H...O hydrogen bonds.

Keywords: chroman-4-one, pyrrolidine, dihydropyrone


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