Information card for entry 2221833

Structure parameters

• Chemical name: Ethyl 2-[(4-chlorophenyl)hydrazono]-3-oxobutanoate
• Formula: C12 H13 Cl N2 O3
• Calculated formula: C12 H13 Cl N2 O3
• SMILES: Clc1ccc(N/N=C(C(=O)C)/C(=O)OCC)cc1
• Title of publication: Ethyl 2-[(4-chlorophenyl)hydrazono]-3-oxobutanoate
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Padaki, Mahesh; Radhika; Isloor, Arun M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1029
• a: 4.0259 ± 0.0001 Å
• b: 17.0892 ± 0.0004 Å
• c: 18.4934 ± 0.0005 Å
• α: 90°
• β: 96.802 ± 0.001°
• γ: 90°
• Cell volume: 1263.38 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.047
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes