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4-({(Z)-5-[(Z)-3-Eth-oxy-4-hy-droxy-benzyl-idene]-3-methyl-4-oxo-1,3-thia-zolidin-2-yl-idene}amino)-benzoic acid dimethyl-formamide monosolvate.

ABSTRACT: The mol-ecular structure of the title compound, C20H18N2O5S·C3H7NO, represents an essentially planar 5-benzyl-idene-thia-zolidine moiety (r.m.s. deviation from planarity without ring substituents = 0.095?Å) to which the 4-amino-benzoic acid fragment is inclined at 76.23?(1)°. In the crystal, the benzoic acid mol-ecules are arranged in layers parallel to [001] which are built up from inversion dimers held together by head-to-tail phenol-carb-oxy O-H?O hydrogen bonds and head-to-tail ?-? stacking inter-actions between the 5-benzyl-idene-thia-zolidine moieties (ring centroid distance = 3.579?Å). These layers are separated by the dimethyl-formamide solvent mol-ecules which are firmly anchored via a short O-H?O hydrogen bond [O?O = 2.5529?(10)?Å] donated by the -COOH group.

SUBMITTER: Kosma P 

PROVIDER: S-EPMC3589002 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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4-({(Z)-5-[(Z)-3-Eth-oxy-4-hy-droxy-benzyl-idene]-3-methyl-4-oxo-1,3-thia-zolidin-2-yl-idene}amino)-benzoic acid dimethyl-formamide monosolvate.

Kosma Paul P   Selzer Edgar E   Mereiter Kurt K  

Acta crystallographica. Section E, Structure reports online 20121124 Pt 12

The mol-ecular structure of the title compound, C20H18N2O5S·C3H7NO, represents an essentially planar 5-benzyl-idene-thia-zolidine moiety (r.m.s. deviation from planarity without ring substituents = 0.095 Å) to which the 4-amino-benzoic acid fragment is inclined at 76.23 (1)°. In the crystal, the benzoic acid mol-ecules are arranged in layers parallel to [001] which are built up from inversion dimers held together by head-to-tail phenol-carb-oxy O-H⋯O hydrogen bonds and head-to-tail π-π stacking  ...[more]

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