Information card for entry 1543333

Structure parameters

• Chemical name: Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde
• Formula: C10 H6 N2 O S
• Calculated formula: C10 H6 N2 O S
• SMILES: s1c(C=O)cn2c3ccccc3nc12
• Title of publication: Benzo[4,5]imidazo[2,1-<i>b</i>]thiazole-2-carbaldehyde
• Authors of publication: Yallur, Basappa; Krishna, P. Murali; Hosamani, Amar A.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160778
• a: 5.6514 ± 0.0016 Å
• b: 21.22 ± 0.007 Å
• c: 7.381 ± 0.002 Å
• α: 90°
• β: 96.473 ± 0.017°
• γ: 90°
• Cell volume: 879.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1921
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes