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(S)-(-)-6-(4-Bromo-phen-yl)-2,3,5,6-tetra-hydro-thia-zolo[2,3-b]imidazolium hydrogen oxalate.

ABSTRACT: The structure of the title compound, C(11)H(12)BrN(2)S(+)·C(2)HO(4) (-) (common name 6-bromo-levamisole hydrogen oxalate), is stabilized mainly by hydrogen bonds. Hydrogen oxalate anions form parallel coplanar chains via O-H?O hydrogen bonds, while there are N-H?O hydrogen-bonding inter-actions between the 6-bromo-levamisole cations and oxalate anions. Both five-membered rings from the 6-bromo-levamisole mol-ecule have a twist conformation. The mol-ecule has an extended conformation, with the 4-bromo-phenyl substituent positioned equatorially with N-C-C-C and C-C-C-C torsion angles of 39.8?(3) and 100.4?(3)°, respectively.

SUBMITTER: Minor T

PROVIDER: S-EPMC2959238 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

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(S)-(-)-6-(4-Bromo-phen-yl)-2,3,5,6-tetra-hydro-thia-zolo[2,3-b]imidazolium hydrogen oxalate.

Minor Thomas T Chruszcz Maksymilian M

Acta crystallographica. Section E, Structure reports online 20080917 Pt 10

The structure of the title compound, C(11)H(12)BrN(2)S(+)·C(2)HO(4) (-) (common name 6-bromo-levamisole hydrogen oxalate), is stabilized mainly by hydrogen bonds. Hydrogen oxalate anions form parallel coplanar chains via O-H⋯O hydrogen bonds, while there are N-H⋯O hydrogen-bonding inter-actions between the 6-bromo-levamisole cations and oxalate anions. Both five-membered rings from the 6-bromo-levamisole mol-ecule have a twist conformation. The mol-ecule has an extended conformation, with the 4- ...[more]

PMID: 21201158

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