Information card for entry 2231976

Structure parameters

• Chemical name: Ethyl 2-[2-(2-methoxyphenyl)hydrazinylidene]-3-oxobutanoate
• Formula: C13 H16 N2 O4
• Calculated formula: C13 H16 N2 O4
• SMILES: O(C(=O)/C(=N/Nc1ccccc1OC)C(=O)C)CC
• Title of publication: Ethyl 2-[2-(2-methoxyphenyl)hydrazinylidene]-3-oxobutanoate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Shetty, Shobhitha; Kalluraya, BalaKrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2571
• a: 10.1885 ± 0.0004 Å
• b: 11.4967 ± 0.0004 Å
• c: 13.2492 ± 0.0005 Å
• α: 90°
• β: 120.003 ± 0.003°
• γ: 90°
• Cell volume: 1343.97 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0571
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes