AI Article Synopsis
- The structure of β-carboline (norharman) was analyzed at a low temperature (110 K) and found to be relevant in both environmental and biological contexts.
- The molecule features intermolecular N-H···N hydrogen bonding, forming a one-dimensional herringbone pattern.
- The shape of the norharman molecule is C-curved with a measured curvature of 3.19 (13)°, and the experimental data indicate shorter pyridyl C-C bonds compared to theoretical predictions.
Article Abstract
The structure of β-carboline, also called norharman (systematic name: 9H-pyrido[3,4-b]indole), C(11)H(8)N(2), 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.
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| http://dx.doi.org/10.1107/S0108270111021706 | DOI Listing |
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