Information card for entry 2235868

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-(4- isobutylphenyl)propanohydrazide
• Formula: C20 H23 Br N2 O2
• Calculated formula: C20 H23 Br N2 O2
• SMILES: CC(Cc1ccc(cc1)C(C(=O)N/N=C/c1cc(Br)ccc1O)C)C
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-2-(4-isobutylphenyl)propanohydrazide
• Authors of publication: Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Abdelhamid, Antar A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2364 - o2365
• a: 16.598 ± 0.008 Å
• b: 35.455 ± 0.018 Å
• c: 9.821 ± 0.005 Å
• α: 90°
• β: 90.718 ± 0.005°
• γ: 90°
• Cell volume: 5779 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1106
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.2455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes