Information card for entry 2237509

Structure parameters

• Chemical name: 5-Chloro-2-(4-methoxyphenyl)-1,3-benzothiazole
• Formula: C14 H10 Cl N O S
• Calculated formula: C14 H10 Cl N O S
• SMILES: Clc1ccc2sc(nc2c1)c1ccc(OC)cc1
• Title of publication: 5-Chloro-2-(4-methoxyphenyl)-1,3-benzothiazole
• Authors of publication: Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o360
• a: 29.0274 ± 0.0016 Å
• b: 14.5512 ± 0.0008 Å
• c: 5.8686 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2478.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes