IUCrData (Sep 2020)

Ethyl 1H-indole-2-carboxylate

  • Will E. Lynch,
  • Christine R. Whitlock,
  • Clifford W. Padgett

DOI
https://doi.org/10.1107/S2414314620012055
Journal volume & issue
Vol. 5, no. 9
p. x201205

Abstract

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Our work in the area of synthesis of tris indole compounds as a potential chelator led to the synthesis and crystallization of ethyl 1H-indole-2-carboxylate, C11H11NO2, an indole that was synthesized by the thionyl chloride reaction of 1H-indole-2-carboxylic acid, followed by dissolution in ethanol. The molecular packing exhibits a herringbone pattern with the zigzag running along the b-axis direction; the compound crystallizes as a hydrogen-bonded dimer resulting from O...H—N hydrogen bonds, between the indole N—H group and the keto oxygen atom, which build centrosymmetric R22(10) ring motifs in the crystal.

Keywords