The Crystal and Molecular Structure of 1-(2-Amino-4-pyrimidinyl)-β-carboline
- 1 July 1982
- journal article
- Published by Oxford University Press (OUP) in Bulletin of the Chemical Society of Japan
- Vol. 55 (7) , 2236-2238
- https://doi.org/10.1246/bcsj.55.2236
Abstract
An alkaloid extracted from a small evergreen tree, Annona montata, was identified as 1-(2-amino-4-pyrimidinyl)-β-carboline monohydrate by the X-ray method. The crystal data are; a=20.699, b=4.453, c=15.720 Å, and β=112.16°; space group, P21/c; Z=4. The structure was solved by the direct method and refined by the least-squares method to the final R value of 0.109 for 1451 independent reflections. The water molecule is connected to four nitrogen atoms by hydrogen bonds. Two of them are in different groups; one is in the five-membered ring of the β-carboline skelton, and the other is in the pyridine of the β-carboline skelton. The fifth hydrogen bond connects two nitrogen atoms, one of which is in the amino group, and the other, in the pyrimidine skelton.Keywords
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