Information card for entry 2222041

Structure parameters

• Common name: N-(benzothiazol-2-yl)-3-chlorobenzamide
• Chemical name: <i>N</i>-(Benzothiazol-2-yl)-3-chlorobenzamide
• Formula: C14 H9 Cl N2 O S
• Calculated formula: C14 H9 Cl N2 O S
• SMILES: Clc1cc(C(=O)Nc2sc3c(n2)cccc3)ccc1
• Title of publication: <i>N</i>-(Benzothiazol-2-yl)-3-chlorobenzamide
• Authors of publication: Khawar Rauf, M.; Bolte, Michael; Badshah, Amin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1245
• a: 26.6613 ± 0.0019 Å
• b: 7.5766 ± 0.0005 Å
• c: 12.6729 ± 0.001 Å
• α: 90°
• β: 99.729 ± 0.006°
• γ: 90°
• Cell volume: 2523.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes