Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Publicover, Ernlie A., Kolwich, Jennifer, Stack, Darcie L., Doué, Alyssa J., Ylijoki, Kai E. O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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
Descripción
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.