Information card for entry 8105606

Structure parameters

• Formula: C15 H10 N2 O2 S
• Calculated formula: C15 H10 N2 O2 S
• SMILES: c1cccc2c1C(=O)OC2Nc1nc2c(cccc2)s1
• Title of publication: Crystal structure of 3-(benzo[d]thiazol-2-ylamino)isobenzofuran-1(3H)-one, C15H10N2O2S
• Authors of publication: Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Guo, Da-Feng; Chu, Yi-Xin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 247 - 248
• a: 10.7988 ± 0.0007 Å
• b: 15.7684 ± 0.001 Å
• c: 8.5906 ± 0.0006 Å
• α: 90°
• β: 112.302 ± 0.008°
• γ: 90°
• Cell volume: 1353.38 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No