Information card for entry 2239358

Structure parameters

• Chemical name: 1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione
• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: O=C1C(=O)c2c(N1Cc1nnn(c1)Cc1ccccc1)cccc2
• Title of publication: 1-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione
• Authors of publication: Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Bodensteiner, Michael; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o588
• a: 11.5386 ± 0.00018 Å
• b: 5.387 ± 0.00009 Å
• c: 23.2433 ± 0.0004 Å
• α: 90°
• β: 92.1048 ± 0.0016°
• γ: 90°
• Cell volume: 1443.79 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes