Information card for entry 2222758

Structure parameters

• Chemical name: 1,2-Bis(3-hydroxybenzylidene)diazane
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: Oc1cccc(c1)/C=N/N=C/c1cccc(c1)O
• Title of publication: 1,2-Bis(3-hydroxybenzylidene)diazane
• Authors of publication: Zhu, Ling; Zhao, Xin-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1929
• a: 4.883 ± 0.002 Å
• b: 8.212 ± 0.003 Å
• c: 14.575 ± 0.006 Å
• α: 90°
• β: 95.267 ± 0.006°
• γ: 90°
• Cell volume: 582 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0831
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No