Information card for entry 2236748

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine
• Formula: C9 H6 Cl2 N2 S
• Calculated formula: C9 H6 Cl2 N2 S
• SMILES: Clc1c(Nc2sccn2)ccc(Cl)c1
• Title of publication: <i>N</i>-(2,4-Dichlorophenyl)-1,3-thiazol-2-amine
• Authors of publication: Babar, Ayesha; Munawar, Munawar Ali; Tahir, M. Nawaz; Ullah, Fateh; Tariq, Muhammad Ilyas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2704
• a: 13.027 ± 0.0009 Å
• b: 10.1183 ± 0.0006 Å
• c: 7.7159 ± 0.0005 Å
• α: 90°
• β: 91.974 ± 0.003°
• γ: 90°
• Cell volume: 1016.44 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0799
• 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: Yes
• Has Fobs: Yes