Information card for entry 2005966

Structure parameters

• Common name: 2-amino-6-fluorobenzothiazole
• Chemical name: 2-Amino-6-fluorobenzothiazole
• Formula: C7 H5 F N2 S
• Calculated formula: C7 H5 F N2 S
• SMILES: s1c(N)nc2ccc(F)cc12
• Title of publication: 2-Amino-6-fluorobenzothiazole
• Authors of publication: Jai-nhuknan, J.; Karipides, A. G.; Hughes, J. M.; Cantrell, J. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 381 - 383
• a: 14.861 ± 0.003 Å
• b: 3.98 ± 0.005 Å
• c: 11.926 ± 0.002 Å
• α: 90°
• β: 93.21 ± 0.02°
• γ: 90°
• Cell volume: 704.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.1053
• Goodness-of-fit parameter for all reflections: 0.93
• Goodness-of-fit parameter for significantly intense reflections: 0.948
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No