Information card for entry 2225515

Structure parameters

• Chemical name: <i>N</i>-(5-Phenyl-1<i>H</i>-pyrazol-3-yl)benzene-1,2-diamine
• Formula: C15 H14 N4
• Calculated formula: C15 H14 N4
• SMILES: [nH]1nc(Nc2c(N)cccc2)cc1c1ccccc1
• Title of publication: <i>N</i>-(5-Phenyl-1<i>H</i>-pyrazol-3-yl)benzene-1,2-diamine
• Authors of publication: Doumbia, Mohamadou Lamine; Bouhfid, Rachid; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o841
• a: 13.2357 ± 0.0008 Å
• b: 5.8473 ± 0.0004 Å
• c: 16.4039 ± 0.001 Å
• α: 90°
• β: 92.074 ± 0.004°
• γ: 90°
• Cell volume: 1268.72 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes