Structure–activity studies of β-carbolines. 2. Crystal and molecular structures of N-ethyl-3-carbamoyl-β-carboline
- 1 September 1984
- journal article
- research article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 62 (9) , 1803-1806
- https://doi.org/10.1139/v84-307
Abstract
The crystal and molecular structures of N-ethyl-3-carbamoyl-β-carboline, C14H13N3O, a synthetic ligand of the benzodiazepine receptor are reported. The space group is C2/c with a = 16.220(4), b = 7.728(4), c = 19.623(6) Å, β = 104.16(1)°, Z = 8. The carboxyamide side chain assumes an extended conformation and is almost coplanar with the β-carboline skeleton. The observed molecular conformation is compared to the current model for the receptor binding site. Hydrogen bonding and aromatic ring stacking determine the molecular packing arrangement.Keywords
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