烟酰胺 - 2,2,2 - 三氟乙醇（2/1）
Nicotinamide-2,2,2-trifluoro-ethanol (2/1).
作者信息
Bardin Julie, Kennedy Alan R, Wong Li Ven, Johnston Blair F, Florence Alastair J
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 11;65(Pt 4):o727-8. 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.
标题化合物2C₆H₆N₂O·C₂H₃F₃O中的烟酰胺（NA）分子通过N-H⋯O接触形成中心对称的R₂²(8)氢键二聚体。不对称单元包含两个NA分子和一个在两个占有率相等的位置上无序的三氟乙醇分子。堆积结构由烟酰胺二聚体层和在c轴方向堆积的无序2,2,2-三氟乙醇分子交替组成。存在分子内C-H⋯O以及分子间N-H⋯N、O-H⋯N、C-H⋯N、C-H⋯O和C-H⋯F相互作用。
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