Information card for entry 1544772

Structure parameters

• Chemical name: 2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole
• Formula: C9 H8 N2 S
• Calculated formula: C9 H8 N2 S
• SMILES: S1c2nc3ccccc3n2CC1
• Title of publication: 2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole
• Authors of publication: Moussaif, Ahmed; Ramli, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 12
• Pages of publication: x161948
• a: 12.744 ± 0.0008 Å
• b: 11.482 ± 0.0007 Å
• c: 12.8707 ± 0.0008 Å
• α: 90°
• β: 118.234 ± 0.001°
• γ: 90°
• Cell volume: 1659.25 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0822
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes