Information card for entry 2239628

Structure parameters

• Chemical name: 2-(2-Methylphenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide
• Formula: C12 H12 N2 O S
• Calculated formula: C12 H12 N2 O S
• SMILES: O=C(Cc1ccccc1C)Nc1nccs1
• Title of publication: 2-(2-Methylphenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide
• Authors of publication: Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o716
• a: 17.6983 ± 0.0006 Å
• b: 4.94078 ± 0.00013 Å
• c: 14.4603 ± 0.0005 Å
• α: 90°
• β: 111.236 ± 0.004°
• γ: 90°
• Cell volume: 1178.6 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes