Information card for entry 2206383

Structure parameters

• Chemical name: Ethyl 4-chloro-3-oxo-2-(phenylhydrazono)butyrate
• Formula: C12 H13 Cl N2 O3
• Calculated formula: C12 H13 Cl N2 O3
• SMILES: c1(ccccc1)N\N=C(C(=O)OCC)\C(=O)CCl
• Title of publication: Ethyl 4-chloro-3-oxo-2-(phenylhydrazono)butyrate
• Authors of publication: Alpaslan, Gökhan; Özdamar, Özgür; Odabas̨oǧlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2428 - o2430
• a: 5.6856 ± 0.0008 Å
• b: 10.9674 ± 0.001 Å
• c: 20.704 ± 0.003 Å
• α: 90°
• β: 92.306 ± 0.012°
• γ: 90°
• Cell volume: 1290 ± 0.3 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: 0.07
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No