Structure–activity studies of β-carbolines. 1. Molecular structure and conformation of cis-3-carboxylic acid-1,2,3,4-tetrahydroharmane dihydrate
- 1 March 1983
- journal article
- research article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 61 (3) , 529-532
- https://doi.org/10.1139/v83-092
Abstract
The crystal structure of cis-3-carboxylic acid-1,2,3,4-tetrahydroharmane dihydrate, C13H13N2O2.cntdot.2H2O, a putative ligand of the benzodiazepine receptor, is reported. The space group is P21/c with .alpha. = 14.850(4), b = 6.560(3), c = 14.746(4) .ANG. and .beta. = 117.411(8).degree., Z = 4. The molecule crystallizes as a zwitterion with the unsaturated ring in a half-chair conformation. H bonding to the water molecules included in the lattice determines the molecular packing arrangment.Keywords
This publication has 3 references indexed in Scilit:
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