3-(2-Methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate monohydrate
In the title hydrated zwitterion, C11H13NO3S2·H2O, the N—C—C—C and C—C—C—S torsion angles in the side-chain are 171.06 (14) and 173.73 (12)°, respectively. In the crystal, inversion-related molecules are π-stacked with an interplanar separation of 3.3847 (2) Å. O—H⋯O hydrogen bonds link inversion-...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
International Union of Crystallography
2014
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051035/ |