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Nicotinamide–2,2,2-trifluoroethanol (2/1)
The nicotinamide (NA) molecules 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 molecules of NA and one trifluoroethanol molecule disordered over two sites of equal occupancy. The pac...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
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International Union of Crystallography
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968831/ https://www.ncbi.nlm.nih.gov/pubmed/21582462 http://dx.doi.org/10.1107/S1600536809007594 |
| _version_ | 1782189980187099136 |
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| author | Bardin, Julie Kennedy, Alan R. Wong, Li Ven Johnston, Blair F. Florence, Alastair J. |
| author_facet | Bardin, Julie Kennedy, Alan R. Wong, Li Ven Johnston, Blair F. Florence, Alastair J. |
| author_sort | Bardin, Julie |
| collection | PubMed |
| description | The nicotinamide (NA) molecules 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 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—H⋯O and intermolecular N—H⋯N, O—H⋯N, C—H⋯N, C—H⋯O and C—H⋯F interactions are present. |
| format | Text |
| id | pubmed-2968831 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29688312010-12-30 Nicotinamide–2,2,2-trifluoroethanol (2/1) Bardin, Julie Kennedy, Alan R. Wong, Li Ven Johnston, Blair F. Florence, Alastair J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The nicotinamide (NA) molecules 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 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—H⋯O and intermolecular N—H⋯N, O—H⋯N, C—H⋯N, C—H⋯O and C—H⋯F interactions are present. International Union of Crystallography 2009-03-11 /pmc/articles/PMC2968831/ /pubmed/21582462 http://dx.doi.org/10.1107/S1600536809007594 Text en © Bardin et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Bardin, Julie Kennedy, Alan R. Wong, Li Ven Johnston, Blair F. Florence, Alastair J. Nicotinamide–2,2,2-trifluoroethanol (2/1) |
| title | Nicotinamide–2,2,2-trifluoroethanol (2/1) |
| title_full | Nicotinamide–2,2,2-trifluoroethanol (2/1) |
| title_fullStr | Nicotinamide–2,2,2-trifluoroethanol (2/1) |
| title_full_unstemmed | Nicotinamide–2,2,2-trifluoroethanol (2/1) |
| title_short | Nicotinamide–2,2,2-trifluoroethanol (2/1) |
| title_sort | nicotinamide–2,2,2-trifluoroethanol (2/1) |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968831/ https://www.ncbi.nlm.nih.gov/pubmed/21582462 http://dx.doi.org/10.1107/S1600536809007594 |
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