Information card for entry 2009255

Structure parameters

• Chemical name: 5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole
• Formula: C13 H16 N4
• Calculated formula: C13 H16 N4
• SMILES: n1(nc(cc1/N=C/N(C)C)C)c1ccccc1
• Title of publication: 5-[(Dimethylamino)methyleneamino]-3-methyl-1-phenylpyrazole
• Authors of publication: Moreno-Fuquen, Rodolfo; Quiroga, Jairo; Insuasty, Braulio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2096 - 2098
• a: 9.1149 ± 0.0006 Å
• b: 7.5153 ± 0.0004 Å
• c: 18.1463 ± 0.0008 Å
• α: 90°
• β: 92.03 ± 0.01°
• γ: 90°
• Cell volume: 1242.26 ± 0.12 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.157
• Weighted residual factors for significantly intense reflections: 0.129
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No