Information card for entry 2221429

Structure parameters

• Chemical name: 2-(1,3-Benzothiazol-2-yliminomethyl)-2-naphthol
• Formula: C18 H12 N2 O S
• Calculated formula: C18 H12 N2 O S
• SMILES: s1c(/N=C/c2c(O)ccc3ccccc23)nc2ccccc12
• Title of publication: 2-(1,3-Benzothiazol-2-yliminomethyl)-2-naphthol
• Authors of publication: Badahdaha, Khadija O.; Asiri, Abdullah Mohamed; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o759
• a: 9.6398 ± 0.0002 Å
• b: 14.9687 ± 0.0004 Å
• c: 9.6646 ± 0.0002 Å
• α: 90°
• β: 101.323 ± 0.002°
• γ: 90°
• Cell volume: 1367.41 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes