Information card for entry 2234278

Structure parameters

• Common name: 5-(Phenyldiazenyl)tropolone
• Chemical name: (<i>E</i>)-2-hydroxy-5-(phenyldiazenyl)cyclohepta-2,4,6-trien-1-one
• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• SMILES: c1(ccc(ccc1=O)N=Nc1ccccc1)O
• Title of publication: 5-(Phenyldiazenyl)tropolone
• Authors of publication: Hill, Tania N.; Mangwaela, Moeketsi S.; Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o941
• a: 6.2838 ± 0.0002 Å
• b: 24.8474 ± 0.0013 Å
• c: 8.0478 ± 0.0003 Å
• α: 90°
• β: 122.255 ± 0.002°
• γ: 90°
• Cell volume: 1062.64 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes