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beta-Carboline (norharman)

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JournalACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
DatePublished - Jul 2011
Issue number7
Volume67
Number of pages3
Pages (from-to)O241-O243
Original languageEnglish

Abstract

The structure of beta-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 center dot center dot center dot 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)degrees parallel to the long axis. The diffraction data show shorter pyridyl C-C bonds than those reported at the STO-3G level of theory.

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