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Crystal structure of (R)-N-benzyl-1-phenylethanaminium (R)-4-chloromandelate
The absolute configuration of the title molecular salt, C(15)H(18)N(+)·C(8)H(6)ClO(3) (−), has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethylammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloromandelate anions are...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257388/ https://www.ncbi.nlm.nih.gov/pubmed/25553012 http://dx.doi.org/10.1107/S1600536814023204 |
Sumario: | The absolute configuration of the title molecular salt, C(15)H(18)N(+)·C(8)H(6)ClO(3) (−), has been confirmed by resonant scattering. In the (R)-N-benzyl-1-phenyl-ethylammonium cation, the phenyl rings are inclined to one another by 44.65 (7)°. In the crystal, the (R)-4-chloromandelate anions are linked via O—H⋯O hydrogen bonds and bridged by N—H⋯O hydrogen bonds involving the cations, forming chains along [010]. There are C—H⋯O hydrogen bonds present within the chains, which are linked via C—H⋯π interactions and a short Cl⋯Cl interaction [3.193 (1) Å] forming a three-dimensional framework. The structure was refined as a two-component inversion twin giving a Flack parameter of 0.05 (4). |
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