Information card for entry 2231904

Structure parameters

• Chemical name: Ethyl 2-[2-(3-methoxyphenyl)hydrazinylidene]-3-oxobutanoate
• Formula: C13 H16 N2 O4
• Calculated formula: C13 H16 N2 O4
• SMILES: O(C(=O)C(=N\Nc1cc(OC)ccc1)\C(=O)C)CC
• Title of publication: Ethyl 2-[2-(3-methoxyphenyl)hydrazinylidene]-3-oxobutanoate
• Authors of publication: Fun, Hoong-Kun; Asik, Safra Izuani Jama; Razak, Ibrahim Abdul; Shetty, Shobhitha; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2809
• a: 5.7796 ± 0.0004 Å
• b: 7.4691 ± 0.0005 Å
• c: 16.9842 ± 0.0011 Å
• α: 77.956 ± 0.002°
• β: 89.394 ± 0.002°
• γ: 72.547 ± 0.002°
• Cell volume: 682.97 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes