Information card for entry 2208978

Structure parameters

• Chemical name: (Z)-Ethyl 4-chloro-3-oxo-2-(2-o-tolylhydrazono)butanoate
• Formula: C13 H15 Cl N2 O3
• Calculated formula: C13 H15 Cl N2 O3
• SMILES: c1(ccccc1C)N/N=C(/C(=O)CCl)C(=O)OCC
• Title of publication: (<i>Z</i>)-Ethyl 4-chloro-3-oxo-2-(2-<i>o</i>-tolylhydrazono)butanoate
• Authors of publication: Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ersanlı, Cem Cüneyt; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1828 - o1830
• a: 4.7495 ± 0.0003 Å
• b: 14.4685 ± 0.0011 Å
• c: 20.2429 ± 0.0016 Å
• α: 90°
• β: 93.584 ± 0.006°
• γ: 90°
• Cell volume: 1388.33 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.158
• 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