Information card for entry 7155191

Structure parameters

• Chemical name: (Z)-5-(2,3-dimethoxybenzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
• Formula: C17 H20 N2 O3 S
• Calculated formula: C17 H20 N2 O3 S
• SMILES: S1\C(=C/c2c(OC)c(OC)ccc2)C(=O)N=C1N1CCCCC1
• Title of publication: Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent.
• Authors of publication: Bathula, Chandramohan; Tripathi, Sayantan; Srinivasan, Ramprasad; Jha, Kunal Kumar; Ganguli, Arnab; Chakrabarti, G.; Singh, Shailja; Munshi, Parthapratim; Sen, Subhabrata
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 8053 - 8063
• a: 6.9066 ± 0.0006 Å
• b: 10.3537 ± 0.001 Å
• c: 12.5514 ± 0.0013 Å
• α: 96.955 ± 0.004°
• β: 103.338 ± 0.003°
• γ: 100.576 ± 0.003°
• Cell volume: 845.87 ± 0.14 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No