Information card for entry 7055860

Structure parameters

• Common name: imidazole derivative
• Chemical name: imidozolyl thiozole
• Formula: C16 H9 F N2 O S
• Calculated formula: C16 H9 F N2 O S
• SMILES: s1c2nc3ccccc3n2cc1C(=O)c1ccc(F)cc1
• Title of publication: Iodine-mediated C‒N and C‒S bond formation: regioselective synthesis of benzo[4,5]imidazo[2,1-b]thiazoles
• Authors of publication: Ambethkar, Sethurajan; Vellimalai, Muthalu; Padmini, Vediappen; Bhuvanesh, Nattamai
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 1
• Pages of publication: 75
• a: 6.3722 ± 0.0018 Å
• b: 11.278 ± 0.003 Å
• c: 17.837 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1281.9 ± 0.6 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No