Information card for entry 2235778

Structure parameters

• Chemical name: (<i>Z</i>)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1- ylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C16 H12 Cl N5 O3
• Calculated formula: C16 H12 Cl N5 O3
• SMILES: Clc1c(N2N=C(C(=N\Nc3ccc(N(=O)=O)cc3)\C2=O)C)cccc1
• Title of publication: (<i>Z</i>)-1-(2-Chlorophenyl)-3-methyl-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Bustos, Carlos; Escobar-Fuentealba, Andrés; Alvarez-Thon, Luis; Faundez-Gutierrez, Rodrigo; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2351 - o2352
• a: 7.2715 ± 0.0006 Å
• b: 14.7757 ± 0.0012 Å
• c: 15.7609 ± 0.0012 Å
• α: 75.408 ± 0.001°
• β: 86.943 ± 0.001°
• γ: 79.774 ± 0.001°
• Cell volume: 1612.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0573
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes