Information card for entry 2206970

Structure parameters

• Chemical name: 2-[(Z)-(1-Naphthyl)methylene]benzimidazo[2,1-b]thiazol-3(2H)-one
• Formula: C20 H12 N2 O S
• Calculated formula: C20 H12 N2 O S
• SMILES: c12ccccc1nc1n2C(=O)/C(=C/c2cccc3ccccc23)S1
• Title of publication: 2-[(<i>Z</i>)-(1-Naphthyl)methylene]benzimidazo[2,1-<i>b</i>]thiazol-3(2<i>H</i>)-one
• Authors of publication: Liang, Zu-Pei; Li, Jian; Li, Gao-Ning; Cao, Chang-Qing; Wang, Guang-Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3166 - o3167
• a: 6.8627 ± 0.0016 Å
• b: 7.9031 ± 0.0019 Å
• c: 27.01 ± 0.006 Å
• α: 90°
• β: 95.406 ± 0.004°
• γ: 90°
• Cell volume: 1458.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes