Information card for entry 2207438

Structure parameters

• Chemical name: (E)-5-(4-Chlorophenyldiazenyl)salicylaldehyde
• Formula: C13 H9 Cl N2 O2
• Calculated formula: C13 H9 Cl N2 O2
• SMILES: c1(c(ccc(c1)/N=N/c1ccc(cc1)Cl)O)C=O
• Title of publication: (<i>E</i>)-5-(4-Chlorophenyldiazenyl)salicylaldehyde
• Authors of publication: Şahin, Onur; Albayrak, Çiğdem; Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4149 - o4150
• a: 3.8486 ± 0.0005 Å
• b: 5.818 ± 0.001 Å
• c: 25.437 ± 0.004 Å
• α: 90°
• β: 91.408 ± 0.012°
• γ: 90°
• Cell volume: 569.39 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No