Information card for entry 2235848

Structure parameters

• Chemical name: <i>N</i>-(2,4,6-Trimethylphenyl)-1,3-thiazol-2-amine
• Formula: C12 H14 N2 S
• Calculated formula: C12 H14 N2 S
• SMILES: s1c(Nc2c(cc(cc2C)C)C)ncc1
• Title of publication: <i>N</i>-(2,4,6-Trimethylphenyl)-1,3-thiazol-2-amine
• Authors of publication: Babar, Ayesha; Munawar, Munawar Ali; Tahir, M. Nawaz; Khan, Ather Farooq; Tariq, Muhammad Ilyas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2441
• a: 14.2766 ± 0.0006 Å
• b: 7.0676 ± 0.0002 Å
• c: 13.8598 ± 0.0006 Å
• α: 90°
• β: 118.736 ± 0.002°
• γ: 90°
• Cell volume: 1226.24 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes