Structure of 6-(3,3-dimethyl-2-oxo-2,3-dihydro-5-furanyl)-2-pyridone at 145 K

Acta Crystallogr C. 1993 Feb 15:49 ( Pt 2):338-40. doi: 10.1107/s0108270192005675.

Abstract

C11H11NO3, M(r) = 205.21, triclinic, P1, a = 5.725 (1), b = 9.038 (1), c = 10.401 (2) A, alpha = 101.37 (1), beta = 102.63 (1), gamma = 102.83 (1) degrees, V = 494.7 (3) A3, Z = 2, Dx = 1.38 g cm-3, lambda (Mo K alpha) = 1.7107 A, mu = 0.62 cm-1, F(000) = 216, T = 145 K, R = 0.049, wR = 0.063 for 2386 unique observed reflections. The molecules, which are self-associating in solution, are arranged in the crystal in centrosymmetric dimers joined by N--H...O bonds between the amide functional groups. Analysis of displacement parameters indicates that the furanyl and pyridone groups are independently quite rigid, with the furanyl group librating with respect to the hydrogen-bonded pyridone.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Crystallization
  • Fourier Analysis
  • Furans / chemistry*
  • Hydrogen Bonding
  • Macromolecular Substances
  • Magnetic Resonance Spectroscopy
  • Molecular Structure
  • Pyridones / chemistry*
  • X-Ray Diffraction

Substances

  • Furans
  • Macromolecular Substances
  • Pyridones
  • 6-(3,3-dimethyl-2-oxo-2,3-dihydro-5-furanyl)-2-pyridone