Information card for entry 1552938

Structure parameters

• Chemical name: 2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde
• Formula: C21 H17 N3 O2
• Calculated formula: C21 H17 N3 O2
• SMILES: O(c1c(c2c(cc1)cccc2)C=O)Cc1nnn(c1)Cc1ccccc1
• Title of publication: 2-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methoxy]-1-naphthaldehyde
• Authors of publication: Vishnupriya, R.; Venkateshan, M.; Suresh, J.; Jaabil, G.; Ponnuswamy, A.; Lakshman, P. L. Nilantha
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 11
• Pages of publication: x191525
• a: 14.013 ± 0.003 Å
• b: 5.4123 ± 0.0011 Å
• c: 22.901 ± 0.005 Å
• α: 90°
• β: 93.157 ± 0.005°
• γ: 90°
• Cell volume: 1734.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1418
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes