Solid-state photobehaviour and crystal packing of o-chlorobenzylidene-DL-piperitone: influence of molecular topology on photobehaviour

Venugopalan, P. ; Venkatesan, K. (1992) Solid-state photobehaviour and crystal packing of o-chlorobenzylidene-DL-piperitone: influence of molecular topology on photobehaviour Acta Crystallographica Section B, 48 (4). pp. 532-537. ISSN 0108-7681

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Official URL: http://scripts.iucr.org/cgi-bin/paper?S01087681920...

Related URL: http://dx.doi.org/10.1107/S0108768192002167

Abstract

C17H19ClO, Mr = 274.7, triclinic, PĪ, a = 11.154 (3), b = 12.685 (2), c = 12.713 (2) Å, α = 100.68 (1), β = 113.58 (1), γ = 104.50 (2)°, V = 1511.1 (6) Å3, Z = 4, Dm = 1.22, Dx = 1.215 Mg m-3, Cu Kα , λ = 1.5418 aÅ, μ = 2.16 mm-1, F(000) = 584, T = 293 K, R = 0.057 for 3481 observed reflections. The title compound is photostable in the crystalline state and lattice-energy calculations have been employed to rationalize the photobehaviour. The well-known beta-steering ability of the chloro group is not operative in this system as there are no Cl …Cl interactions in the crystal lattice. All five benzylidene-DL-piperitone structures so far studied are alpha-packed and the molecular topology appears to be a deciding factor even in the presence of steering groups.

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