Information card for entry 2218967

Structure parameters

• Chemical name: 2-(4-Phenyl-1<i>H</i>-1,2,3-triazol-1-yl)-<i>N</i>-(<i>p</i>-tolyl)acetamide
• Formula: C17 H16 N4 O
• Calculated formula: C17 H16 N4 O
• SMILES: N(c1ccc(cc1)C)C(=O)Cn1nnc(c1)c1ccccc1
• Title of publication: 2-(4-Phenyl-1<i>H</i>-1,2,3-triazol-1-yl)-<i>N</i>-(<i>p</i>-tolyl)acetamide
• Authors of publication: Chu, Qing-Zhu; Qi, Bao-Ping; Zhang, Xiao-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1612
• a: 5.5923 ± 0.0007 Å
• b: 30.438 ± 0.004 Å
• c: 9.6112 ± 0.001 Å
• α: 90°
• β: 115.595 ± 0.006°
• γ: 90°
• Cell volume: 1475.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes