Information card for entry 2214935

Structure parameters

• Chemical name: 2-(2-Thienylmethyleneamino)isoindoline-1,3-dione
• Formula: C13 H8 N2 O2 S
• Calculated formula: C13 H8 N2 O2 S
• SMILES: s1cccc1/C=N/N1C(=O)c2ccccc2C1=O
• Title of publication: 2-(2-Thienylmethyleneamino)isoindoline-1,3-dione
• Authors of publication: Jing, Zuo-Liang; Yu, Ming; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3714 - o3714
• a: 8.4727 ± 0.0015 Å
• b: 21.327 ± 0.004 Å
• c: 12.942 ± 0.002 Å
• α: 90°
• β: 90.74 ± 0.003°
• γ: 90°
• Cell volume: 2338.4 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes