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(3R,5S)-5(3)-Carb-oxy-3,4,5,6-tetra-hydro-2H-1,4-thia-zin-4-ium-3(5)-carboxyl-ate.

ABSTRACT: The molecule of the zwitterionic title compound, C(6)H(9)NO(4)S, which lies on a mirror plane, shows a puckered chair conformation of the six-membered ring with the S and N atoms out of the mean plane of the other four C atoms by 0.929?(2) and 0.647?(2)?Å, respectively. The ionized carboxyl group is equatorially oriented. The hydrogen-bonding network includes very short O-H?O [2.470?(2)?Å] and N-H?S [3.471?(2) and 3.416?(2)?Å] inter-molecular contacts.

SUBMITTER: Portalone G

PROVIDER: S-EPMC2960813 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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(3R,5S)-5(3)-Carb-oxy-3,4,5,6-tetra-hydro-2H-1,4-thia-zin-4-ium-3(5)-carboxyl-ate.

Portalone Gustavo G Cassetta Alberto A Colapietro Marcello M Plattner Susanne Heidi SH

Acta crystallographica. Section E, Structure reports online 20080227 Pt 3

The molecule of the zwitterionic title compound, C(6)H(9)NO(4)S, which lies on a mirror plane, shows a puckered chair conformation of the six-membered ring with the S and N atoms out of the mean plane of the other four C atoms by 0.929 (2) and 0.647 (2) Å, respectively. The ionized carboxyl group is equatorially oriented. The hydrogen-bonding network includes very short O-H⋯O [2.470 (2) Å] and N-H⋯S [3.471 (2) and 3.416 (2) Å] inter-molecular contacts. ...[more]

PMID: 21201967

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