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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 |
Sumario: | 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. |
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