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Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl-piperidin-1-yl)benzyl-idene]-4-oxo-3-(p-tol-yl)-1,3-thia-zolidin-2-yl-idene}-N-(p-tol-yl)ethane-thio-amide dimethyl sulfoxide monosolvate.

ABSTRACT: The title compound, C37H34FN3OS2·C2H6OS, was obtained by the Knoevenagel condensation. The thia-zolidine ring is essentially planar (r.m.s. deviation = 0.025?Å) and forms dihedral angles of 4.2?(3), 68.60?(14) and 39.57?(15)° with the attached thio-amide group, p-tolyl group benzene ring and fluoro-substituted benzene ring, respectively. The exocyclic double bonds are in a Z configuration. In the crystal, the dimethyl sulfoxide solvent mol-ecule is connected to the main mol-ecule via an N-H?O hydrogen bond. Weak C-H?O hydrogen bonds link the components of the structure into a two-dimensional network parallel to (10-1). Weak intra-molecular C-H?S hydrogen bonds are also observed. The crystal is an inversion twin with a ratio of twin components 0.78?(2):0.22?(6).

SUBMITTER: Khamidullina L 

PROVIDER: S-EPMC4647368 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl-piperidin-1-yl)benzyl-idene]-4-oxo-3-(p-tol-yl)-1,3-thia-zolidin-2-yl-idene}-N-(p-tol-yl)ethane-thio-amide dimethyl sulfoxide monosolvate.

Khamidullina Liliya L   Obydennov Konstantin K   Slepukhin Pavel P   Morzherin Yury Y  

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

The title compound, C37H34FN3OS2·C2H6OS, was obtained by the Knoevenagel condensation. The thia-zolidine ring is essentially planar (r.m.s. deviation = 0.025 Å) and forms dihedral angles of 4.2 (3), 68.60 (14) and 39.57 (15)° with the attached thio-amide group, p-tolyl group benzene ring and fluoro-substituted benzene ring, respectively. The exocyclic double bonds are in a Z configuration. In the crystal, the dimethyl sulfoxide solvent mol-ecule is connected to the main mol-ecule via an N-H⋯O hy  ...[more]

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