Information card for entry 2209412

Structure parameters

• Chemical name: (E)-Ethyl 4-chloro-2-[2-(2,6-dimethylphenyl)hydrazono]-3-oxobutanoate
• Formula: C14 H17 Cl N2 O3
• Calculated formula: C14 H17 Cl N2 O3
• SMILES: c1(c(cccc1C)C)N\N=C(/C(=O)CCl)C(=O)OCC
• Title of publication: (<i>E</i>)-Ethyl 4-chloro-2-[2-(2,6-dimethylphenyl)hydrazono]-3-oxobutanoate
• Authors of publication: Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2850 - o2851
• a: 7.0423 ± 0.0007 Å
• b: 9.3029 ± 0.0009 Å
• c: 11.8285 ± 0.0011 Å
• α: 93.707 ± 0.008°
• β: 100.515 ± 0.008°
• γ: 103.75 ± 0.08°
• Cell volume: 735.3 ± 0.3 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: 0.066
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes