Cytenamide trifluoroacetic acid solvate
Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO·C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these a...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2008-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808016577 |
| _version_ | 1818959501051559936 |
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| author | Andrea Johnston Alastair J. Florence Francesca J. A. Fabbiani Colin T. Bedford Kenneth Shankland Julie Bardin |
| author_facet | Andrea Johnston Alastair J. Florence Francesca J. A. Fabbiani Colin T. Bedford Kenneth Shankland Julie Bardin |
| author_sort | Andrea Johnston |
| collection | DOAJ |
| description | Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO·C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked by O—H...O and N—H...O hydrogen bonds to form an R22(8) motif. The trifluoromethyl group of the solvent molecule displays rotational disorder over two sites, with site-occupancy factors of 0.964 (4) and 0.036 (4). |
| first_indexed | 2024-12-20T11:42:38Z |
| format | Article |
| id | doaj.art-95872c2d783549a79ac7241e8ef4c115 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T11:42:38Z |
| publishDate | 2008-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-95872c2d783549a79ac7241e8ef4c1152022-12-21T19:41:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-07-01647o1215o121610.1107/S1600536808016577Cytenamide trifluoroacetic acid solvateAndrea JohnstonAlastair J. FlorenceFrancesca J. A. FabbianiColin T. BedfordKenneth ShanklandJulie BardinCytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO·C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked by O—H...O and N—H...O hydrogen bonds to form an R22(8) motif. The trifluoromethyl group of the solvent molecule displays rotational disorder over two sites, with site-occupancy factors of 0.964 (4) and 0.036 (4).http://scripts.iucr.org/cgi-bin/paper?S1600536808016577 |
| spellingShingle | Andrea Johnston Alastair J. Florence Francesca J. A. Fabbiani Colin T. Bedford Kenneth Shankland Julie Bardin Cytenamide trifluoroacetic acid solvate Acta Crystallographica Section E |
| title | Cytenamide trifluoroacetic acid solvate |
| title_full | Cytenamide trifluoroacetic acid solvate |
| title_fullStr | Cytenamide trifluoroacetic acid solvate |
| title_full_unstemmed | Cytenamide trifluoroacetic acid solvate |
| title_short | Cytenamide trifluoroacetic acid solvate |
| title_sort | cytenamide trifluoroacetic acid solvate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536808016577 |
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