Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 2 (February 2007)

organic compounds

gz3054 scheme

Acta Cryst. (2007). C63, o114-o116 [ doi:10.1107/S0108270106054692 ]

3-(1-Pyridinio)propanesulfonate and 3-(benzyldimethylammonio)propanesulfonate monohydrate

K. D. Koclega, M. Chruszcz, A. Gawlicka-Chruszcz, M. Cymborowski and W. Minor

Abstract: 3-(1-Pyridinio)propanesulfonate, C₈H₁₁NO₃S, and 3-(benzyldimethylammonio)propanesulfonate monohydrate, C₁₂H₁₉NO₃S·H₂O, used as additives during protein refolding and crystallization, both crystallize in the monoclinic system in the P2₁/c space group, with one molecule (or one set of molecules) per asymmetric unit. The solvent water molecule present in the second crystal structure results in the formation of a dimer through hydrogen bonds. The conformation of the propanesulfonate moiety is similar in both structures.

Formula: C₈H₁₁NO₃S and C₁₂H₁₉NO₃S·H₂O


	Structure factor file (CIF format) (47.0 kbytes) [ doi:10.1107/S0108270106054692/gz3054Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (74.8 kbytes) [ doi:10.1107/S0108270106054692/gz3054IIsup3.hkl ] Contains datablock II

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