Information card for entry 2226999

Structure parameters

• Chemical name: Ethyl 2-[4-(1,3-benzothiazol-2-yl)anilino]acetate
• Formula: C17 H16 N2 O2 S
• Calculated formula: C17 H16 N2 O2 S
• SMILES: c12ccccc1nc(c1ccc(cc1)NCC(=O)OCC)s2
• Title of publication: Ethyl 2-[4-(1,3-benzothiazol-2-yl)anilino]acetate
• Authors of publication: Zhang, Yong; Qu, Yuan; Zhao, Bi-lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2143
• a: 5.6303 ± 0.0001 Å
• b: 26.1604 ± 0.0005 Å
• c: 10.5989 ± 0.0002 Å
• α: 90°
• β: 98.294 ± 0.001°
• γ: 90°
• Cell volume: 1544.79 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes