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

Tools

Bardin, J. and Kennedy, A.R. and Wong, L.V. and Johnston, B.F. and Florence, A.J. (2009) Nicotinamide-2,2,2-trifluoroethanol (2/1). Acta Crystallographica Section E: Structure Reports, 65 (4). o727-o728. ISSN 1600-5368 (http://dx.doi.org/10.1107/S1600536809007594)

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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.

ORCID iDs

Bardin, J., Kennedy, A.R. ORCID logoORCID: https://orcid.org/0000-0003-3652-6015, Wong, L.V., Johnston, B.F. ORCID logoORCID: https://orcid.org/0000-0001-9785-6822 and Florence, A.J. ORCID logoORCID: https://orcid.org/0000-0002-9706-8364;
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