Information card for entry 2219705

Structure parameters

• Chemical name: 2-[(2-Hydroxy-1-naphthyl)methyleneamino]-1,3-benzothiazole
• Formula: C18 H12 N2 O S
• Calculated formula: C18 H12 N2 O S
• SMILES: n1c(/N=C/c2c(O)ccc3c2cccc3)sc2c1cccc2
• Title of publication: 2-[(2-Hydroxy-1-naphthyl)methyleneamino]-1,3-benzothiazole
• Authors of publication: Cui, Liansheng; Yin, Handong; Yang, Minglei; Quan, Li; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1974
• a: 9.7439 ± 0.0013 Å
• b: 15.1506 ± 0.0016 Å
• c: 9.8082 ± 0.0014 Å
• α: 90°
• β: 101.788 ± 0.002°
• γ: 90°
• Cell volume: 1417.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes