Information card for entry 2205356

Structure parameters

• Chemical name: (2-Chloropyridin-3-yl)(4-nitrobenzylidene)amine
• Formula: C12 H8 Cl N3 O2
• Calculated formula: C12 H8 Cl N3 O2
• SMILES: Clc1ncccc1/N=C/c1ccc(N(=O)=O)cc1
• Title of publication: (2-Chloropyridin-3-yl)(4-nitrobenzylidene)amine
• Authors of publication: Mehmet Akkurt; Selvi Karaca; Ali Asghar Jarrahpour; Maaroof Zarei; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o776 - o778
• a: 7.1404 ± 0.0006 Å
• b: 11.9642 ± 0.0011 Å
• c: 13.6188 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1163.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No