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Journal of Structural Chemistry

2012 year, number 5

SINGLE CRYSTAL X-RAY ANALYSIS OF ISOMERIC 2-(2,4,4-TRIMETHYL-3,4-DIHYDRO-2H-BENZO[h]CHROMEN-2-YL)-1-NAPHTHYL ACETATE AND 3-(2,4,4-TRIMETHYL-3,4-DIHYDRO-2H-BENZO[g]CHROMEN-2-YL)- 2-NAPHTHYL ACETATE

B.R. Srinivasan1, P. Raghavaiah2, R.N. Shirsat1, J.C.J.M.D.S. Menezes1, S.P. Kamat1
1 Department of Chemistry, Goa University
2 School of Chemistry, National Single Crystal X-ray Diffractometer Facility, University of Hyderabad
Keywords: 2-(2, 4, 4-trimethyl-3, 4-dihydro-2H-benzo[h]chromen-2-yl)-1-naphthyl acetate, 3-(2, 4, 4-trimethyl-3, 4-dihydro-2H-benzo[g]chromen-2-yl)-2-naphthyl acetate, naphthopyran, benzoflavans, crystal structure, structural isomers
Pages: 962-966

Abstract

Single crystal X-ray structure characterization of isomeric 2-(2,4,4-trimethyl-3,4-dihydro-2H-benzo[h]chromen-2-yl)-1-naphthyl acetate (1) and 3-(2,4,4-trimethyl-3,4-dihydro-2H-benzo[g]chromen-2-yl)-2-naphthyl acetate (2) is described. Compound 1 crystallizes in the centrosymmetric monoclinic space group P21/c with all atoms situated in general positions. Isomeric compound 2 crystallizes in the centrosymmetric triclinic space group P-1 and its structure consists of two crystallographically independent molecules with all atoms located in general positions. In addition to intramolecular C-H⋯O bonding, 2 is involved in two intermolecular C-H⋯O interactions resulting in a one-dimensional H-bonded network.