Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


organic compounds



tk5224 scheme

Acta Cryst. (2013). E69, o941-o942    [ doi:10.1107/S1600536813013330 ]

4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate

T. Seethalakshmi, S. Manivannan, S. Dhanuskodi, D. E. Lynch and S. Thamotharan

Abstract: The title salt, C8H12NO+·Br-·H2O, is isomorphous with the chloride analogue [Seethalakshmi et al. (2013). Acta Cryst. E69, o835-o836]. In the solid state, the cations, anions and water molecules are interlinked by a network of O-H...O, O-H...Br and C-H...Br interactions. The water molecule makes two O-H...Br hydrogen bonds, generating [010] zigzag chains of alternating water molecules and bromide anions. The cation is involved in two intermolecular C-H...Cl interactions in the chloride salt, whereas three intermolecular C-H...Br interactions are observed in the title bromide salt. This additional intermolecular C-H...Br interaction links the adjacent water and bromide zigzag chains via cationic molecules. In addition, weak [pi]-[pi] stacking interactions are observed between pyridinium rings [centroid-centroid distance = 3.5664 (13) Å].


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