Nicotinamide–2,2,2-trifluoroethanol (2/1)
The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809007594 |
| _version_ | 1818988499538280448 |
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| author | Julie Bardin Alan R. Kennedy Li Ven Wong Blair F. Johnston Alastair J. Florence |
| author_facet | Julie Bardin Alan R. Kennedy Li Ven Wong Blair F. Johnston Alastair J. Florence |
| author_sort | Julie Bardin |
| collection | DOAJ |
| description | The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(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. |
| first_indexed | 2024-12-20T19:23:33Z |
| format | Article |
| id | doaj.art-0bb0e55b542b4314a18ce7c3959648de |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T19:23:33Z |
| publishDate | 2009-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-0bb0e55b542b4314a18ce7c3959648de2022-12-21T19:28:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-04-01654o727o72810.1107/S1600536809007594Nicotinamide–2,2,2-trifluoroethanol (2/1)Julie BardinAlan R. KennedyLi Ven WongBlair F. JohnstonAlastair J. FlorenceThe nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(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.http://scripts.iucr.org/cgi-bin/paper?S1600536809007594 |
| spellingShingle | Julie Bardin Alan R. Kennedy Li Ven Wong Blair F. Johnston Alastair J. Florence Nicotinamide–2,2,2-trifluoroethanol (2/1) Acta Crystallographica Section E |
| 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 amp 8211 2 2 2 trifluoroethanol 2 1 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809007594 |
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