Crystal structure of (S)-sec-butylammonium l-tartrate monohydrate

Autor: Ernlie A. Publicover, Jennifer Kolwich, Darcie L. Stack, Alyssa J. Doué, Kai E. O. Ylijoki
Jazyk: angličtina
Rok vydání: 2017
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 5, Pp 716-719 (2017)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989017005448
Popis: The title hydrated molecular salt, C4H12N+·C4H5O6−·H2O, 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–CH2 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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