Information card for entry 2232560

Structure parameters

• Chemical name: 6-Fluoro-2-(4-methoxyphenyl)imidazo[2,1-<i>b</i>][1,3]benzothiazole
• Formula: C16 H11 F N2 O S
• Calculated formula: C16 H11 F N2 O S
• SMILES: s1c2c(n3cc(nc13)c1ccc(OC)cc1)ccc(F)c2
• Title of publication: 6-Fluoro-2-(4-methoxyphenyl)imidazo[2,1-<i>b</i>][1,3]benzothiazole
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Umesha, K.; Sarojini, B. K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3265 - o3266
• a: 7.612 ± 0.0013 Å
• b: 13.883 ± 0.002 Å
• c: 13.049 ± 0.002 Å
• α: 90°
• β: 105.117 ± 0.003°
• γ: 90°
• Cell volume: 1331.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes