Redetermination of 2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonate at 100 K

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Redetermination of 2-[4-(2-hydroxy­ethyl)piperazin-1-ium-1-yl]ethanesul­fonate at 100 K

The crystal structure of the title compound (common name HEPES), C(8)H(18)N(2)O(4)S, has been redetermined at 100 K in order to properly elucidate the protonation state of the HEPES molecule. The piperazine ring has a chair conformation and one of the N atoms in the ring is protonated, which was not previously reported [Gao, Yin, Yang, & Xue (2004). Acta Cryst. E60, o1328-o1329]. The change of ...

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In the crystal structure of the title compound, C(19)H(20)FN(2)O(3) (+)·C(2)F(3)O(2) (-), N-H⋯O and O-H⋯O hydrogen bonds link two cations and two anions into a 22-atom ring. These rings are further linked into a three dimensional network by weak C-H⋯O contacts.

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2009

ISSN: 1600-5368

DOI: 10.1107/s1600536809042512