Nicotinamide-2,2,2-trifluoroethanol (2/1)

J. Bardin, A.R. Kennedy, L.V. Wong, B.F. Johnston, A.J. Florence

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Abstract

The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(8) hydrogen-bonded dimers via N-HO contacts. The asymmetric unit contains two molecules of NA and one trifluoroethanol molecule disordered over two sites of equal occupancy. The packing consists of alternating layers of nicotinamide dimers and disordered 2,2,2-trifluoroethanol molecules stacking in the c-axis direction. Intramolecular C-HO and intermolecular N-HN, O-HN, C-HN, C-HO and C-HF interactions are present.
Original languageEnglish
Pages (from-to)o727-o728
JournalActa Crystallographica Section E: Structure Reports
Volume65
Issue number4
DOIs
Publication statusPublished - Apr 2009

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Keywords

  • crystallography
  • nicotinamide dimers
  • pharmacology
  • trifluoroethanol molecules

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