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Mehta, Goverdhan and Vanessa, Gagliardini and Islam, Kabirul and Venkatesan, Kailasam (2004) 6a,6b,12a,12b-Tetrahydrocycloocta[3,4]cyclobuta[1,2][8]annulene. In: Acta Crystallographica Section C - Crystal Structure Communications, C60 (Part 1). o90-o93.


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The cis,syn,cis-tricyclic [2+2]-dimer of cyclooctatetraene, $C_1_6H_1_6$, crystallizes in space group $Pca2_1$ with two molecules in the asymmetric unit. An extensive network of weak C-H...\pi(C=C) interactions between the two independent molecules, A and B, as well as A...A and B...B interactions, are observed in the supramolecular assembly. The C-H groups point more towards one C atom than to the centre of the C=C bond. Notable among the interactions are bifurcated (cyclobutane)C-H...C=C contacts that span transannularly the eight-membered ring.

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: 03 Feb 2005
Last Modified: 19 Sep 2010 04:17
URI: http://eprints.iisc.ac.in/id/eprint/2663

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