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

ABSTRACT: 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.

SUBMITTER: Bardin J

PROVIDER: S-EPMC2968831 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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

Bardin Julie J Kennedy Alan R AR Wong Li Ven LV Johnston Blair F BF Florence Alastair J AJ

Acta crystallographica. Section E, Structure reports online 20090311 Pt 4

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- ...[more]

PMID: 21582462

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