Information card for entry 2230637

Structure parameters

• Chemical name: 1-Benzyl-4-(naphthalen-1-yl)-1<i>H</i>-1,2,3-triazole
• Formula: C19 H15 N3
• Calculated formula: C19 H15 N3
• SMILES: n1(nnc(c2cccc3ccccc23)c1)Cc1ccccc1
• Title of publication: 1-Benzyl-4-(naphthalen-1-yl)-1<i>H</i>-1,2,3-triazole
• Authors of publication: Sarmiento-Sánchez, Juan I.; Aguirre, Gerardo; Rivero, Ignacio A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1856
• a: 9.896 ± 0.002 Å
• b: 11.038 ± 0.003 Å
• c: 14.136 ± 0.004 Å
• α: 90°
• β: 102.701 ± 0.013°
• γ: 90°
• Cell volume: 1506.3 ± 0.7 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: 0.1465
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes