Information card for entry 2206679

Structure parameters

• Chemical name: (E)-Ethyl 4-chloro-3-[2-(2-fluorophenyl)hydrazono]butanoate
• Formula: C12 H12 Cl F N2 O3
• Calculated formula: C12 H12 Cl F N2 O3
• SMILES: c1(c(cccc1)F)N\N=C(/C(=O)OCC)C(=O)CCl
• Title of publication: (<i>E</i>)-Ethyl 4-chloro-3-[2-(2-fluorophenyl)hydrazono]butanoate
• Authors of publication: Alpaslan, Gökhan; Özdamar, Özgür; Odabaşoğlu, Mustafa; Ersanlı, Cem Cüneyt; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2823 - o2825
• a: 4.3633 ± 0.0005 Å
• b: 9.2982 ± 0.0011 Å
• c: 16.7339 ± 0.0017 Å
• α: 94.781 ± 0.009°
• β: 93.394 ± 0.009°
• γ: 100.822 ± 0.009°
• Cell volume: 662.57 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes