Information card for entry 2238729

Structure parameters

• Common name: <i>N</i>-(1,3-Benzothiazol-2-yl)acetamide
• Chemical name: <i>N</i>-(1,3-Benzothiazol-2-yl)acetamide
• Formula: C9 H8 N2 O S
• Calculated formula: C9 H8 N2 O S
• SMILES: CC(=O)Nc1nc2c(s1)cccc2
• Title of publication: <i>N</i>-(1,3-Benzothiazol-2-yl)acetamide
• Authors of publication: Nayak, Prakash S.; Narayana, B.; Jasinski, Jerry P.; Yathirajan, H. S.; Kaur, Manpreet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1622
• a: 11.1852 ± 0.0004 Å
• b: 7.4037 ± 0.0004 Å
• c: 20.9189 ± 0.0008 Å
• α: 90°
• β: 94.408 ± 0.003°
• γ: 90°
• Cell volume: 1727.21 ± 0.13 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: 0.0624
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No