Information card for entry 2008479

Structure parameters

• Formula: C16 H14 N2 O3
• Calculated formula: C16 H14 N2 O3
• SMILES: c1(ccccc1)/C=C/C(=O)N(C)c1ccccc1N(=O)=O
• Title of publication: <i>N</i>-Methyl-2'-nitrocinnamanilide
• Authors of publication: Subramanian, E.; Renganayaki, S.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 764 - 766
• a: 10.387 ± 0.001 Å
• b: 10.248 ± 0.001 Å
• c: 13.857 ± 0.003 Å
• α: 90°
• β: 107.54 ± 0.02°
• γ: 90°
• Cell volume: 1406.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.113
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No