Information card for entry 8101803

Structure parameters

• Chemical name: naphthalen-1-yl-(4-nitro-benzylidene)-amine
• Formula: C17 H12 N2 O2
• Calculated formula: C17 H12 N2 O2
• SMILES: c1(ccc(cc1)/C=N/c1cccc2ccccc12)N(=O)=O
• Title of publication: Crystal structure of naphthalen-1-yl-(4-nitro-benzylidene)amine, C~17~H~12~N~2~O~2~
• Authors of publication: Wen, P.-H.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 397 - 398
• a: 7.2528 ± 0.0008 Å
• b: 12.3005 ± 0.001 Å
• c: 15.2083 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1356.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No