Information card for entry 2242012

Structure parameters

• Common name: 5-Nitroisatin-3-phenylhydrazone
• Chemical name: (3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one
• Formula: C14 H10 N4 O3
• Calculated formula: C14 H10 N4 O3
• SMILES: C1(=O)C(=N\Nc2ccccc2)/c2cc(ccc2N1)N(=O)=O
• Title of publication: Crystal structure of (3<i>E</i>)-5-nitro-3-(2-phenylhydrazinylidene)-1<i>H</i>-indol-2(3<i>H</i>)-one
• Authors of publication: Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Bortoluzzi, Adaílton João; de Farias, Renan Lira; de Oliveira, Adriano Bof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 168 - 172
• a: 5.7504 ± 0.0004 Å
• b: 9.719 ± 0.0006 Å
• c: 12.1976 ± 0.0007 Å
• α: 111.196 ± 0.002°
• β: 96.759 ± 0.002°
• γ: 98.497 ± 0.002°
• Cell volume: 617.69 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes