Information card for entry 2219950

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(5-<i>tert</i>-butyl-2-hydroxyphenyl)diazenyl]benzoic acid
• Formula: C17 H18 N2 O3
• Calculated formula: C17 H18 N2 O3
• SMILES: O=C(O)c1c(/N=N/c2c(O)ccc(c2)C(C)(C)C)cccc1
• Title of publication: 2-[(<i>E</i>)-(5-<i>tert</i>-Butyl-2-hydroxyphenyl)diazenyl]benzoic acid
• Authors of publication: Basu Baul, Tushar S.; Paul, Anup; Arman, Hadi D.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2125
• a: 5.9052 ± 0.0019 Å
• b: 10.872 ± 0.004 Å
• c: 23.126 ± 0.008 Å
• α: 90°
• β: 94.432 ± 0.004°
• γ: 90°
• Cell volume: 1480.3 ± 0.9 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes