Information card for entry 2211326

Structure parameters

• Chemical name: (Z)-Ethyl 4-chloro-3-oxo-2-(2-p-tolylhydrazono)butanoate
• Formula: C13 H15 Cl N2 O3
• Calculated formula: C13 H15 Cl N2 O3
• SMILES: c1(ccc(cc1)C)N\N=C(/C(=O)OCC)C(=O)CCl
• Title of publication: (<i>Z</i>)-Ethyl 4-chloro-3-oxo-2-(2-<i>p</i>-tolylhydrazono)butanoate
• Authors of publication: Alpaslan, Gökhan; Odabaşoğlu, Mustafa; Özdamar, Özgür; Ocak Ískeleli, Nazan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5354 - o5355
• a: 7.2025 ± 0.0004 Å
• b: 19.3625 ± 0.0014 Å
• c: 10.6093 ± 0.0006 Å
• α: 90°
• β: 108.852 ± 0.004°
• γ: 90°
• Cell volume: 1400.19 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes