Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 7 (July 2006)

organic compounds

sk3027 scheme

Acta Cryst. (2006). C62, o382-o385 [ doi:10.1107/S0108270106018038 ]

Three substituted (Z)-5-benzylidene-2-thioxothiazolidin-4-ones: hydrogen-bonded dimers that can be effectively isolated or linked into chains either by aromatic - stacking interactions or by dipolar carbonyl-carbonyl interactions

P. Delgado, J. Quiroga, J. M. de la Torre, J. Cobo, J. N. Low and C. Glidewell

Abstract: In each of the isomeric compounds (Z)-5-(2-fluorobenzylidene)-2-thioxothiazolidin-4-one, C₁₀H₆FNOS₂, (I), and (Z)-5-(4-fluorobenzylidene)-2-thioxothiazolidin-4-one, C₁₀H₆FNOS₂, (II), there is a very wide C-C-C angle (ca 130°) at the methine C atom linking the two rings. In each isomer, paired N-HO hydrogen bonds link the molecules into centrosymmetric R₂²(8) dimers; the hydrogen-bonded dimers are linked into chains by an aromatic [pi] - [pi] stacking interaction in isomer (I) and by an antiparallel dipolar carbonyl-carbonyl interaction in isomer (II). (Z)-5-(3,4,5-Trimethoxybenzylidene)-2-thioxothiazolidin-4-one, C₁₃H₁₃NO₄S₂, (III), which crystallizes with Z' = 2 in the space group P $\overline{1}$ , shows the same very wide angle at the bridging methine C atom; the two independent molecules are linked into an isolated dimer having no crystallographic symmetry.

Formula: C₁₀H₆FNOS₂, C₁₀H₆FNOS₂ and C₁₃H₁₃NO₄S₂


	Structure factor file (CIF format) (114.9 kbytes) [ doi:10.1107/S0108270106018038/sk3027Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (112.4 kbytes) [ doi:10.1107/S0108270106018038/sk3027IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (312.1 kbytes) [ doi:10.1107/S0108270106018038/sk3027IIIsup4.hkl ] Contains datablock III

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