Information card for entry 2211664

Structure parameters

• Chemical name: N-(4-(4-nitrobenzylideneamino)phenyl)acetamide
• Formula: C15 H13 N3 O3
• Calculated formula: C15 H13 N3 O3
• SMILES: O=N(=O)c1ccc(cc1)/C=N/c1ccc(NC(=O)C)cc1
• Title of publication: <i>N</i>-[4-(4-Nitrobenzylideneamino)phenyl]acetamide
• Authors of publication: Wu, Yun; Zhao, Bo; Li, Baolong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5677 - o5678
• a: 7.0477 ± 0.0008 Å
• b: 15.1868 ± 0.0017 Å
• c: 24.426 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2614.4 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes