Information card for entry 2231334

Structure parameters

• Chemical name: 2-Ethyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline
• Formula: C13 H12 N2 O2 S
• Calculated formula: C13 H12 N2 O2 S
• SMILES: c1(sc(cc1)/C=N/c1ccccc1CC)N(=O)=O
• Title of publication: 2-Ethyl-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline
• Authors of publication: Ceylan, Ümit; Tanak, Hasan; Gümüş, Sümeyye; Ağar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2004
• a: 11.3578 ± 0.0004 Å
• b: 7.4923 ± 0.0002 Å
• c: 14.9676 ± 0.0006 Å
• α: 90°
• β: 99.589 ± 0.003°
• γ: 90°
• Cell volume: 1255.89 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0375
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes