Acta Crystallographica Section A

Foundations of Crystallography

Volume 60, Part 5 (September 2004)

Acta Cryst. (2004). A60, 488-493    [doi:10.1107/S0108767304015375]

Topological analyses and bond characterization of 1,3,5,7-tetra-tert-butyl-s-indacene: a weak C_sp³-HH-C_sp²-type dihydrogen interaction

C.-C. Wang, T.-H. Tang, L.-C. Wu and Y. Wang

Abstract: Topological analyses of experimental and theoretical calculated electron densities of 1,3,5,7-tetra-tert-butyl-s-indacene provide bond characterizations of the chemical bond and of the -delocalization. A weak C_sp³-HH-C_sp²-type intramolecular dihydrogen interaction (DHI) is identified through this analysis.

Online 26 August 2004

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