Information card for entry 2212323

Structure parameters

• Chemical name: (Z)-Ethyl 2-[2-(3-bromophenyl)hydrazono]-4-chloro-3-oxobutanoate
• Formula: C12 H12 Br Cl N2 O3
• Calculated formula: C12 H12 Br Cl N2 O3
• SMILES: c1(cccc(c1)Br)N/N=C(C(=O)CCl)\C(=O)OCC
• Title of publication: (<i>Z</i>)-Ethyl 2-[2-(3-bromophenyl)hydrazono]-4-chloro-3-oxobutanoate
• Authors of publication: Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ocak Ískeleli, Nazan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o446 - o447
• a: 7.4266 ± 0.0003 Å
• b: 14.1636 ± 0.0007 Å
• c: 26.676 ± 0.001 Å
• α: 90°
• β: 95.354 ± 0.003°
• γ: 90°
• Cell volume: 2793.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes