Information card for entry 2311242

Structure parameters

• Chemical name: 3-Oxo-<i>N</i>',2-diphenyl-2,3-dihydro-1<i>H</i>-pyrazole-4-carbohydrazide
• Formula: C16 H14 N4 O2
• Calculated formula: C16 H14 N4 O2
• SMILES: O=C(NNc1ccccc1)C1=CNN(C1=O)c1ccccc1
• Title of publication: 3-Oxo-N',2-diphenyl-2,3-di-hydro-1H-pyrazole-4-carbohydrazide.
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Eman A.; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 7
• Pages of publication: o819 - 20
• a: 8.4488 ± 0.0012 Å
• b: 11.5605 ± 0.0017 Å
• c: 14.642 ± 0.002 Å
• α: 90°
• β: 91.565 ± 0.002°
• γ: 90°
• Cell volume: 1429.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1124
• 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: No