Information card for entry 7155186

Structure parameters

• Chemical name: (Z)-5-(4-(dimethylamino)benzylidene)-2-(piperidin-1-yl)thiazol-4(5H)-one
• Formula: C17 H21 N3 O S
• Calculated formula: C17 H21 N3 O S
• SMILES: S1/C(=C\c2ccc(N(C)C)cc2)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: 12.7194 ± 0.0004 Å
• b: 8.0294 ± 0.0003 Å
• c: 16.4422 ± 0.0006 Å
• α: 90°
• β: 105.304 ± 0.001°
• γ: 90°
• Cell volume: 1619.68 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No