Information card for entry 2242571

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
• Formula: C26 H36 N2 O2
• Calculated formula: C26 H36 N2 O2
• SMILES: Oc1c(cc(cc1/C=N/CC/N=C/c1c(O)c(cc(c1)C)C(C)(C)C)C)C(C)(C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine
• Authors of publication: Sen, Pinar; Kansiz, Sevgi; Golenya, Irina A.; Dege, Necmi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1147 - 1150
• a: 13.1124 ± 0.0014 Å
• b: 9.8498 ± 0.0006 Å
• c: 19.737 ± 0.002 Å
• α: 90°
• β: 106.892 ± 0.008°
• γ: 90°
• Cell volume: 2439.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes