Information card for entry 2237308

Structure parameters

• Chemical name: (<i>E</i>)-3-Amino-4-(2-phenylhydrazinylidene)-1<i>H</i>- pyrazol-5(4<i>H</i>)-one
• Formula: C9 H9 N5 O
• Calculated formula: C9 H9 N5 O
• SMILES: O=C1NN=C(C\1=N\Nc1ccccc1)N
• Title of publication: (<i>E</i>)-3-Amino-4-(2-phenylhydrazinylidene)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o187
• a: 6.738 ± 0.0002 Å
• b: 13.431 ± 0.0004 Å
• c: 10.4563 ± 0.0003 Å
• α: 90°
• β: 103.094 ± 0.003°
• γ: 90°
• Cell volume: 921.67 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes