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A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide
The title salt, C(18)H(21)FNO(2) (+)·Br(−), determined at 115 K, crystallizes in the triclinic space group P1. The previously reported polymorph occurs in the monoclinic space group P2(1) and has two independent molecules in the asymmetric unit [Peeters et al. (1993 ▶). Acta Cryst. C49, 2157–2160]....
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4004435/ https://www.ncbi.nlm.nih.gov/pubmed/24860291 http://dx.doi.org/10.1107/S1600536813030377 |
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| author | Rousselin, Yoann Laureano, Hugo Clavel, Alexandre |
| author_facet | Rousselin, Yoann Laureano, Hugo Clavel, Alexandre |
| author_sort | Rousselin, Yoann |
| collection | PubMed |
| description | The title salt, C(18)H(21)FNO(2) (+)·Br(−), determined at 115 K, crystallizes in the triclinic space group P1. The previously reported polymorph occurs in the monoclinic space group P2(1) and has two independent molecules in the asymmetric unit [Peeters et al. (1993 ▶). Acta Cryst. C49, 2157–2160]. In the title molecule, the pyran rings adopt half-chair conformations. The absolute configuration is S for the hydroxy-bearing C atom and R for the asymmetric C atom in the dihydropyran unit. In the crystal, the components are linked by N—H⋯Br and O—H⋯Br hydrogen bonds, forming chains along the c-axis direction. The crystal studied was refined as an inversion twin. |
| format | Online Article Text |
| id | pubmed-4004435 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2013 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-40044352014-05-23 A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide Rousselin, Yoann Laureano, Hugo Clavel, Alexandre Acta Crystallogr Sect E Struct Rep Online Organic Papers The title salt, C(18)H(21)FNO(2) (+)·Br(−), determined at 115 K, crystallizes in the triclinic space group P1. The previously reported polymorph occurs in the monoclinic space group P2(1) and has two independent molecules in the asymmetric unit [Peeters et al. (1993 ▶). Acta Cryst. C49, 2157–2160]. In the title molecule, the pyran rings adopt half-chair conformations. The absolute configuration is S for the hydroxy-bearing C atom and R for the asymmetric C atom in the dihydropyran unit. In the crystal, the components are linked by N—H⋯Br and O—H⋯Br hydrogen bonds, forming chains along the c-axis direction. The crystal studied was refined as an inversion twin. International Union of Crystallography 2013-11-20 /pmc/articles/PMC4004435/ /pubmed/24860291 http://dx.doi.org/10.1107/S1600536813030377 Text en © Rousselin et al. 2013 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 Rousselin, Yoann Laureano, Hugo Clavel, Alexandre A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| title | A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| title_full | A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| title_fullStr | A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| title_full_unstemmed | A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| title_short | A triclinic polymorph of (−)-(S)-N-benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| title_sort | triclinic polymorph of (−)-(s)-n-benzyl-2-[(r)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4004435/ https://www.ncbi.nlm.nih.gov/pubmed/24860291 http://dx.doi.org/10.1107/S1600536813030377 |
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