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Crystal structure of (S)-sec-butyl-ammonium l-tartrate monohydrate.

ABSTRACT: The title hydrated mol-ecular salt, C4H12N+·C4H5O6-·H2O, was prepared by deprotonation of enanti-opure l-tartaric acid with racemic sec-butyl-amine in water. Only one enanti-omer was observed crystallographically, resulting from the combination of (S)-sec-butyl-amine with l-tartaric acid. The sec-butyl-ammonium 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, mol-ecules are linked through a network of O-H?O and N-H?O hydrogen-bonding inter-actions, between the ammonium H atoms, the tartrate hy-droxy H atoms, and the inter-stitial water, forming a three-dimensional supra-molecular structure.

SUBMITTER: Publicover EA

PROVIDER: S-EPMC5418791 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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Crystal structure of (S)-sec-butyl-ammonium l-tartrate monohydrate.

Publicover Ernlie A EA Kolwich Jennifer J Stack Darcie L DL Doué Alyssa J AJ Ylijoki Kai E O KEO

Acta crystallographica. Section E, Crystallographic communications 20170418 Pt 5

The title hydrated mol-ecular salt, C4H12N+·C4H5O6-·H2O, was prepared by deprotonation of enanti-opure l-tartaric acid with racemic sec-butyl-amine in water. Only one enanti-omer was observed crystallographically, resulting from the combination of (S)-sec-butyl-amine with l-tartaric acid. The sec-butyl-ammonium moiety is disordered over two conformations related by rotation around ...[more]

PMID: 28529783

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