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Crystal and molecular structure of α-naphthil

Published/Copyright: August 25, 2010

Abstract

The crystal structure of α-naphthil, C22H14O2, was determined from the study of three weighted reciprocal nets and the corresponding Patterson projections and was refined with 2126 observed reflections [I > 2 σ(I)]. The space group is P[unk] with a = 12.455(1), b = 7.832(1), c = 8806(2) Å, α = 115.72(1), β = 94.96(1), γ = 94.82(1); the unit cell contains two formula units, Dc = 1.37 gcm−3.

The intercarbonyl dihedral angle is 87.2° while the dihedral angles between the carbonyl groups and the adjacent naphthalene moieties are 4.18° and 6.83° respectively due to the effect of packing forces. Both the naphthalene moieties are distorted, the in-plane distortion being more prominent than the out-of-plane distortion due to peri-interaction and/or resonance effects. The resonance effect also manifests in the unequal lengths of the C–C single bonds between the naphthalene-carbonyl and carbonylcarbonyl groups.

Published Online: 2010-8-25
Published in Print: 1986-2-1

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