Information card for entry 2202525

Structure parameters

• Chemical name: N-(4-Butylphenyl)salicylaldimine
• Formula: C17 H19 N O
• Calculated formula: C17 H19 N O
• SMILES: c1(c(O)cccc1)/C=N/c1ccc(cc1)CCCC
• Title of publication: <i>N</i>-(4-Butylphenyl)salicylaldimine at 160K
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Anitha, S.M.; Prasad, Archana; Rao, T.R.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1856 - o1857
• a: 5.5848 ± 0.0001 Å
• b: 8.0987 ± 0.0002 Å
• c: 31.2943 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1415.43 ± 0.05 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes