Information card for entry 2222000

Structure parameters

• Chemical name: Ethyl 2-[(3-chlorophenyl)hydrazono]-3-oxobutanoate
• Formula: C12 H13 Cl N2 O3
• Calculated formula: C12 H13 Cl N2 O3
• SMILES: Clc1cc(N/N=C(C(=O)C)/C(=O)OCC)ccc1
• Title of publication: Ethyl 2-[(3-chlorophenyl)hydrazono]-3-oxobutanoate
• Authors of publication: Fun, Hoong-Kun; Padaki, Mahesh; Sowmya; Isloor, Arun M.; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1320 - o1321
• a: 4.0826 ± 0.0002 Å
• b: 10.3196 ± 0.0004 Å
• c: 15.1469 ± 0.0006 Å
• α: 88.336 ± 0.003°
• β: 87.033 ± 0.003°
• γ: 83.734 ± 0.002°
• Cell volume: 633.31 ± 0.05 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes