Information card for entry 2221384

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[(5-Methyl-2-furyl)methylene]-3-nitroaniline
• Formula: C12 H10 N2 O3
• Calculated formula: C12 H10 N2 O3
• SMILES: N(=C\c1oc(cc1)C)/c1cc(N(=O)=O)ccc1
• Title of publication: (<i>E</i>)-<i>N</i>-[(5-Methyl-2-furyl)methylene]-3-nitroaniline
• Authors of publication: Guo, Ya-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o669
• a: 21.634 ± 0.002 Å
• b: 3.8286 ± 0.0009 Å
• c: 26.66 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2208.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes