Nicotinamide-2,2,2-trifluoro-ethanol (2/1)

• Published in: Acta crystallographica. Section E, Structure reports online Vol. 65; no. Pt 4; pp. o727 - o728
• Main Authors: Bardin, Julie, Kennedy, Alan R, Wong, Li Ven, Johnston, Blair F, Florence, Alastair J
• Format: Journal Article
• Language: English
• Published: United States International Union of Crystallography 11.03.2009
• Subjects: Organic Papers
• ISSN: 1600-5368; 1600-5368
• DOI: 10.1107/S1600536809007594

The nicotinamide (NA) mol-ecules of the title compound, 2C(6)H(6)N(2)O·C(2)H(3)F(3)O, form centrosymmetric R(2) (2)(8) hydrogen-bonded dimers via N-H⋯O contacts. The asymmetric unit contains two mol-ecules 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-trifluoro-ethanol mol-ecules stacking in the c-axis direction. Intra-molecular C-H⋯O and inter-molecular N-H⋯N, O-H⋯N, C-H⋯N, C-H⋯O and C-H⋯F inter-actions are present.