Information card for entry 2231934

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(Anthracen-9-ylmethylidene)-4-nitroaniline
• Formula: C21 H14 N2 O2
• Calculated formula: C21 H14 N2 O2
• SMILES: c12ccccc1cc1ccccc1c2/C=N/c1ccc(cc1)N(=O)=O
• Title of publication: (<i>E</i>)-<i>N</i>-(Anthracen-9-ylmethylidene)-4-nitroaniline
• Authors of publication: Geetha, K.; Kumar, D. K. Andrew Prasanna; Lakshmanan, D.; Savitha, R.; Murugavel, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2577
• a: 8.3634 ± 0.0004 Å
• b: 8.9045 ± 0.0004 Å
• c: 11.5119 ± 0.0006 Å
• α: 75.235 ± 0.002°
• β: 84.544 ± 0.003°
• γ: 75.054 ± 0.002°
• Cell volume: 800.56 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.3061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes