Topological analyses and bond characterization of 1,3,5,7-tetra-tert-butyl-s-indacene: a weak Csp3—H⋯H—Csp2-type dihydrogen interaction

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

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

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 π-delocalization. A weak C_sp³—H

H—C_sp²-type intramolecular dihydrogen interaction (DHI) is identified through this analysis.

Keywords: topological analysis; bond characterization; dihydrogen interaction.

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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

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	Standard Generalized Markup Language (SGML) file https://doi.org/10.1107/S0108767304015375/xc5003sup1.cif Supplementary material
	Structure factor file (CIF format) https://doi.org/10.1107/S0108767304015375/xc5003sup2.hkl Supplementary material

Topological analyses and bond characterization of 1,3,5,7-tetra-tert-butyl-s-indacene: a weak Csp3—HH—Csp2-type dihydrogen interaction

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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