Abstract
The title compound, C18H16O2, was prepared by reduction of 2-(5,6,7,8-tetrahydro-2-naphthoyl)benzoic acid with zinc dust. The benzene ring in the tetrahydronaphthyl substituent is nearly perpendicular to the plane of the isobenzofuran-1(3H)-one ring [87.15 (4)°]. The cyclohexane unit has a half-chair conformation in which two methylene groups in the tetramethylene bridge are disordered over two positions; the site-occupancy factors are 0.838 (4) and 0.162 (4). The crystal structure exhibits alternating isobenzofuran-1(3H)-one and tetrahydronaphthalene layers.
Highlights
The benzene ring in the tetrahydronaphthyl substituent is nearly perpendicular to the plane of the isobenzofuran-1(3H)one ring [87.15 (4) ]
The cyclohexane unit has a half-chair conformation in which two methylene groups in the tetramethylene bridge are disordered over two positions; the siteoccupancy factors are 0.838 (4) and 0.162 (4)
The title compound, which was first prepared by Schroeter (1921), can be regarded as a derivative of 3-phenylisobenzofuran-1(3H)-one by annelation of cyclohexane to the substituent phenyl ring
Summary
Key indicators: single-crystal X-ray study; T = 223 K; mean (C–C) = 0.002 Å; disorder in main residue; R factor = 0.038; wR factor = 0.109; data-to-parameter ratio = 14.8. The benzene ring in the tetrahydronaphthyl substituent is nearly perpendicular to the plane of the isobenzofuran-1(3H)one ring [87.15 (4) ]. The cyclohexane unit has a half-chair conformation in which two methylene groups in the tetramethylene bridge are disordered over two positions; the siteoccupancy factors are 0.838 (4) and 0.162 (4). The crystal structure exhibits alternating isobenzofuran-1(3H)-one and tetrahydronaphthalene layers
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