Information card for entry 2235380

Structure parameters

• Chemical name: 4-Nitro-<i>N</i>-[(<i>E</i>)-thiophen-2-ylmethylidene]aniline
• Formula: C11 H8 N2 O2 S
• Calculated formula: C11 H8 N2 O2 S
• SMILES: s1cccc1/C=N/c1ccc(N(=O)=O)cc1
• Title of publication: 4-Nitro-<i>N</i>-[(<i>E</i>)-thiophen-2-ylmethylidene]aniline
• Authors of publication: Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2288
• a: 9.2754 ± 0.0005 Å
• b: 11.9983 ± 0.0009 Å
• c: 18.4996 ± 0.0013 Å
• α: 90°
• β: 92.772 ± 0.006°
• γ: 90°
• Cell volume: 2056.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes