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Electronic structure, novel synthesis, and O—H...O and C—H...O interactions in two 6‐oxopiperidine‐2‐carboxylic acid derivatives

Molecules of (S)‐6‐oxo‐1‐(thiophen‐2‐ylmethyl)piperidine‐2‐carboxylic acid, C11H13NO3S, crystallize as single enantiomers in the space group P21 and the thiophene ring is disordered over two positions, while (S)‐6‐oxo‐1‐(thiophen‐3‐ylmethyl)piperidine‐2‐carboxylic acid, C11H13NO3S, crystallizes as a...

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Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2014-08, Vol.70 (8), p.817-822
Main Authors: Vrabel, Viktor, Sivy, Július, Safar, Peter, Marchalin, Stefan
Format: Article
Language:English
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Summary:Molecules of (S)‐6‐oxo‐1‐(thiophen‐2‐ylmethyl)piperidine‐2‐carboxylic acid, C11H13NO3S, crystallize as single enantiomers in the space group P21 and the thiophene ring is disordered over two positions, while (S)‐6‐oxo‐1‐(thiophen‐3‐ylmethyl)piperidine‐2‐carboxylic acid, C11H13NO3S, crystallizes as a single enantiomer in the space group P212121. Their absolute configurations were confirmed by anomalous dispersion effects in diffraction measurements on the crystals. The molecules of each compound are linked by a combination of strong O—H...O hydrogen bonds and weak C—H...O interactions, resulting in two‐ and three‐dimensional networks, respectively, in the crystal structures.
ISSN:2053-2296
0108-2701
2053-2296
1600-5759
DOI:10.1107/S2053229614016301