Information card for entry 2219771

Structure parameters

• Chemical name: 2-(4-Aminophenyl)-1,3-benzothiazole
• Formula: C13 H10 N2 S
• Calculated formula: C13 H10 N2 S
• SMILES: c12ccccc1sc(c1ccc(cc1)N)n2
• Title of publication: 2-(4-Aminophenyl)-1,3-benzothiazole
• Authors of publication: Zhang, Yong; Su, Zhen-Hong; Wang, Qing-Zhi; Teng, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2065
• a: 8.7038 ± 0.0005 Å
• b: 9.5933 ± 0.0006 Å
• c: 14.5144 ± 0.0009 Å
• α: 70.72 ± 0.001°
• β: 77.326 ± 0.001°
• γ: 73.17 ± 0.001°
• Cell volume: 1084.63 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes