Information card for entry 2235844

Structure parameters

• Chemical name: <i>N</i>-(1,3-Thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
• Formula: C14 H16 N2 O S
• Calculated formula: C14 H16 N2 O S
• SMILES: s1ccnc1NC(=O)Cc1c(cc(cc1C)C)C
• Title of publication: <i>N</i>-(1,3-Thiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2461
• a: 16.421 ± 0.002 Å
• b: 4.6397 ± 0.0007 Å
• c: 20.1144 ± 0.0018 Å
• α: 90°
• β: 123.15 ± 0.007°
• γ: 90°
• Cell volume: 1283.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0562
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1031
• 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: Yes