Abstract
The crystal and molecular structure of 1-ethyl-4-methoxy-9H-pyrido[3,4b]indole (crenatine) carbonate C14H14N2O·H2CO3, (MS, m/z 226)M R 288.3, aβ-carboline alkaloid, has been determined from X-ray diffraction data. The compound crystallizes in the space group Pbca with cell parameters:a=11.616(4),b=18.450(8),c=12.992(5)Å,V=2784(2)Å3,Z=8,D calc=1.375 g cm−3,λ (MoKα)=0.71069Å,μ(Mo Kα)=0.94 cm−1,F(000)=1216,R/R w =8.2/10.3% for 1099 reflections. The ring system of theβ-carboline nucleus is planar. The title compound shows a two center hydrogen bond between the indole N-H group and the oxygen atom of a carbonate group. The structure does not display hydrogen bonding betweenβ-carboline groups but rather a bonding network involving the carbonate group.
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Holt, E.M., Joshi, B.S., Gawad, D.H. et al. Crystal and molecular structure of crenatine carbonate. Journal of Crystallographic and Spectroscopic Research 20, 261–264 (1990). https://doi.org/10.1007/BF01187251
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DOI: https://doi.org/10.1007/BF01187251