Information card for entry 2238965

Structure parameters

• Common name: (Z)-3-amino-4-(2-phenylhydrazono)pyrazol-5(4H)-one
• Chemical name: (<i>Z</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(/C1=N/Nc1ccccc1)N
• Title of publication: A second polymorph of (<i>Z</i>)-3-amino-4-(2-phenylhydrazinylidene)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Elgazwy, Abdel-Sattar S. Hamad; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o141 - o142
• a: 6.4433 ± 0.0004 Å
• b: 7.4563 ± 0.0005 Å
• c: 10.1989 ± 0.0006 Å
• α: 80.005 ± 0.005°
• β: 81.271 ± 0.005°
• γ: 70.512 ± 0.005°
• Cell volume: 452.58 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes