Information card for entry 2206290

Structure parameters

• Chemical name: 4-Chloro-2-[(4-nitrophenyl)hydrazono]-3-oxo-butyric acid ethyl ester
• Formula: C12 H12 Cl N3 O5
• Calculated formula: C12 H12 Cl N3 O5
• SMILES: c1(ccc(cc1)N(=O)=O)N\N=C(C(=O)CCl)/C(=O)OCC
• Title of publication: Ethyl 4-chloro-2-[(4-nitrophenyl)hydrazono]-3-oxobutyrate
• Authors of publication: Odabaşoğlu, Mustafa; Özdamar, Özgür; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2068 - o2070
• a: 9.0131 ± 0.0008 Å
• b: 9.4161 ± 0.0009 Å
• c: 9.8932 ± 0.0009 Å
• α: 62.458 ± 0.007°
• β: 66.52 ± 0.007°
• γ: 86.438 ± 0.007°
• Cell volume: 675.08 ± 0.13 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: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.083
• 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