Information card for entry 2020703

Structure parameters

• Chemical name: (<i>E</i>)-2,6-Di-<i>tert</i>-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol
• Formula: C21 H26 N4 O5
• Calculated formula: C21 H26 N4 O5
• SMILES: c1(c(cc(cc1)N(=O)=O)N(=O)=O)N/N=C/c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Crystal structure of (E)-2,6-di-tert-butyl-4-{[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}phenol
• Authors of publication: Faizi, Md. Serajul Haque; Dege, Necmi; Haque, Ashanul; Kalibabchuk, Valentina A.; Cemberci, Mustafa
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 96
• a: 18.7651 ± 0.001 Å
• b: 6.9193 ± 0.0004 Å
• c: 17.259 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2240.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes