Information card for entry 2013984

Structure parameters

• Chemical name: 5-(2-chlorophenyldiazenyl)salicylaldehyde
• Formula: C13 H9 Cl N2 O2
• Calculated formula: C13 H9 Cl N2 O2
• SMILES: Clc1c(N=Nc2cc(c(O)cc2)C=O)cccc1
• Title of publication: 5-(2-Chlorophenyldiazenyl)salicylaldehyde and 4-(2-chlorophenyldiazenyl)-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2<i>H</i>)-one
• Authors of publication: Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o318 - o320
• a: 6.9938 ± 0.0011 Å
• b: 21.636 ± 0.003 Å
• c: 8.1078 ± 0.0013 Å
• α: 90°
• β: 108.724 ± 0.003°
• γ: 90°
• Cell volume: 1161.9 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes