Information card for entry 2236219

Structure parameters

• Chemical name: 2-Methyl-3-nitro-<i>N</i>-{(<i>E</i>)-[5-(4-nitrophenyl)furan- 2-yl]methylidene}aniline
• Formula: C18 H13 N3 O5
• Calculated formula: C18 H13 N3 O5
• SMILES: N(=O)(=O)c1ccc(cc1)c1oc(cc1)/C=N/c1cccc(N(=O)=O)c1C
• Title of publication: 2-Methyl-3-nitro-<i>N</i>-{(<i>E</i>)-[5-(4-nitrophenyl)furan-2-yl]methylidene}aniline
• Authors of publication: Pekdemir, Merve; Işık, Şamil; Gümüş, Sümeyye; Ağar, Erbil; Öztürk Yıldırım, Sema; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2630
• a: 10.9026 ± 0.0003 Å
• b: 10.2798 ± 0.0003 Å
• c: 14.2962 ± 0.0003 Å
• α: 90°
• β: 101.529 ± 0.002°
• γ: 90°
• Cell volume: 1569.94 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes