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Structure of $\alpha$-Benzylidene-$(\pm)$-piperitone, an Exception to Topochemical Behaviour

Kanagapushpam, D and Ramamurthy, V and Venkatesan, K (1987) Structure of $\alpha$-Benzylidene-$(\pm)$-piperitone, an Exception to Topochemical Behaviour. In: Acta Crystallographica, Section C: Crystal Structure Communications, 43 (6). pp. 1128-1131.

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$C_{17}H_{20}0$, $M_r = 240.2$, monoclinic, $P2_1/n$, a = 6.116(2), b = 16.127 (3), $c = 14.417(5)\AA$, $\beta = 96.62(2)^0$, $V = 1412.5 (7) \AA^3$, Z = 4, $D_m = 1.13$, $D_x = 1.129 Mg m^{-3}$, $CuK\alpha$, $\lambda = 1.5418 \AA$, $\mu = 0.454 mm^{-1}$, F(000) = 520.0, T = 298 K, R = 0.062 for the 1800 reflections used in the refinement. The two pairs of reactive double bonds which are related by a centre of inversion are properly oriented for [2+2] hotocycloaddition. In spite of the favourable arrangement of the double bonds the molecule is photostable. A possible explanation for the inertness of the compound is provided in terms of a large atomic displacement of the styrene group upon excitation in the crystal lattice.

Item Type: Journal Article
Publication: Acta Crystallographica, Section C: Crystal Structure Communications
Publisher: International Union of Crystallography
Additional Information: Copyright for this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Date Deposited: 14 May 2008
Last Modified: 19 Sep 2010 04:44
URI: http://eprints.iisc.ac.in/id/eprint/13974

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