Information card for entry 2207210

Structure parameters

• Chemical name: (Z)-Ethyl 4-chloro-2-[2-(2-chlorophenyl)hydrazono]-3-oxobutanoate
• Formula: C12 H12 Cl2 N2 O3
• Calculated formula: C12 H12 Cl2 N2 O3
• SMILES: c1(c(cccc1)Cl)N\N=C(/C(=O)OCC)C(=O)CCl
• Title of publication: (<i>Z</i>)-Ethyl 4-chloro-2-[2-(2-chlorophenyl)hydrazono]-3-oxobutanoate
• Authors of publication: Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ersanlı, Cem Cüneyt; Erdönmez, Ahmet; Ocak Ískeleli, Nazan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3648 - o3650
• a: 4.466 ± 0.005 Å
• b: 9.248 ± 0.005 Å
• c: 17.078 ± 0.005 Å
• α: 95 ± 0.005°
• β: 94.336 ± 0.005°
• γ: 102.054 ± 0.005°
• Cell volume: 684 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1041
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes