Information card for entry 2216959

Structure parameters

• Chemical name: (E)-Methyl 2-[(4-nitrophenyl)hydrazono]propanoate
• Formula: C10 H11 N3 O4
• Calculated formula: C10 H11 N3 O4
• SMILES: N(=O)(=O)c1ccc(N/N=C(C)/C(=O)OC)cc1
• Title of publication: (<i>E</i>)-Methyl 2-[(4-nitrophenyl)hydrazono]propanoate
• Authors of publication: Hai-Yang Yu; Xin Fang; Ming-Lei Cao; Yan-Jun Zhang; Jun-Dong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o344 - o344
• a: 12.836 ± 0.003 Å
• b: 6.926 ± 0.0014 Å
• c: 11.915 ± 0.002 Å
• α: 90°
• β: 90.11 ± 0.03°
• γ: 90°
• Cell volume: 1059.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes