β-Carboline (norharman)

Authors: Thatcher, Robert J.; Douthwaite, Richard E.

Source: Acta Crystallographica Section C, Volume 67, Number 7, 15 July 2011 , pp. o241-o243(3)

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Abstract:

The structure of β-carboline, also called norharman (systematic name: 9H-pyrido[3,4-b]indole), C₁₁H₈N₂, has been determined at 110 K. Norharman is prevalent in the environment and the human body and is of wide biological interest. The structure exhibits intermolecular N—H...N hydrogen bonding, which results in a one-dimensional herringbone motif. The three rings of the norharman molecule collectively result in a C-shaped curvature of 3.19 (13)° parallel to the long axis. The diffraction data show shorter pyridyl C—C bonds than those reported at the STO-3G level of theory.

Document Type: Research article

DOI: http://dx.doi.org/10.1107/S0108270111021706

Affiliations: 1: Department of Chemistry, University of York, Heslington, York YO10 5DD, England

Publication date: 2011-07-15