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Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate
The title hydrated molecular salt, C(4)H(12)N(+)·C(4)H(5)O(6) (−)·H(2)O, was prepared by deprotonation of enantiopure l-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with l-tartaric...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418791/ https://www.ncbi.nlm.nih.gov/pubmed/28529783 http://dx.doi.org/10.1107/S2056989017005448 |
Sumario: | The title hydrated molecular salt, C(4)H(12)N(+)·C(4)H(5)O(6) (−)·H(2)O, was prepared by deprotonation of enantiopure l-tartaric acid with racemic sec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with l-tartaric acid. The sec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH(2) bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H⋯O and N—H⋯O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure. |
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