Information card for entry 2011478

Structure parameters

• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: OC(=O)c1c(O)ccc(N=Nc2ccc(OC)cc2)c1
• Title of publication: 2-Hydroxy-5-[(<i>E</i>)-(4-methoxyphenyl)diazenyl]benzoic acid
• Authors of publication: Basu Baul, T. S.; Dhar, S.; Tiekink, E. R. T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1280 - 1281
• a: 24.902 ± 0.006 Å
• b: 15.109 ± 0.006 Å
• c: 6.674 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2511.1 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.65
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes