Information card for entry 2203291

Structure parameters

• Chemical name: 4-(2-Hydroxyphenyliminomethylene)phenol
• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• SMILES: c1(ccc(cc1)O)/N=C/c1c(cccc1)O
• Title of publication: 4-(2-Hydroxyphenyliminomethylene)phenol
• Authors of publication: Ersanlı, Cem Cüneyt; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o389 - o391
• a: 22.041 ± 0.005 Å
• b: 10.82 ± 0.005 Å
• c: 8.924 ± 0.005 Å
• α: 90°
• β: 91.55 ± 0.005°
• γ: 90°
• Cell volume: 2127.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No