Information card for entry 2221751

Structure parameters

• Chemical name: <i>N</i>-(2-Hydroxyethyl)-2-[3-(<i>p</i>-tolyl)triazen-1-yl]benzamide
• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• SMILES: N(=NNc1ccc(cc1)C)c1c(cccc1)C(=O)NCCO
• Title of publication: <i>N</i>-(2-Hydroxyethyl)-2-[3-(<i>p</i>-tolyl)triazen-1-yl]benzamide
• Authors of publication: Rocha-Alonzo, Fernando; Aguirre, Gerardo; Parra-Hake, Miguel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o990 - o991
• a: 16.846 ± 0.002 Å
• b: 12.2053 ± 0.0017 Å
• c: 7.4302 ± 0.0011 Å
• α: 90°
• β: 93.212 ± 0.013°
• γ: 90°
• Cell volume: 1525.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes