Information card for entry 2238216

Structure parameters

• Chemical name: (2<i>Z</i>)-3-(2,4-Dichlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide
• Formula: C15 H11 Cl2 N O S
• Calculated formula: C15 H11 Cl2 N O S
• SMILES: S=C(/C=C(/c1ccc(cc1Cl)Cl)O)Nc1ccccc1
• Title of publication: (2<i>Z</i>)-3-(2,4-Dichlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide
• Authors of publication: Kour, Dalbir; Singh, Kuldeep; Aitawade, Mayur M.; Deshmukh, Madhukar B.; Anbhule, Prashant V.; Gupta, Vivek K.; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1173 - o1174
• a: 28.9562 ± 0.0006 Å
• b: 13.261 ± 0.0003 Å
• c: 7.5284 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2890.82 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes