Information card for entry 2216655

Structure parameters

• Chemical name: 2-Amino-4-methylbenzothiazole
• Formula: C8 H8 N2 S
• Calculated formula: C8 H8 N2 S
• SMILES: s1c(nc2c(cccc12)C)N
• Title of publication: 2-Amino-4-methylbenzothiazole
• Authors of publication: Tanke, Robin S.; Foxman, Bruce M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4718 - o4718
• a: 12.86 ± 0.004 Å
• b: 3.931 ± 0.001 Å
• c: 15.208 ± 0.005 Å
• α: 90°
• β: 92.968 ± 0.005°
• γ: 90°
• Cell volume: 767.8 ± 0.4 ų
• Cell temperature: 208 K
• Ambient diffraction temperature: 208 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: 0.0661
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes