Information card for entry 2005798

Structure parameters

• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: Clc1cc(O)c(cc1)CN=Cc1ccccc1O
• Title of publication: 5-Chloro-2-[(2-hydroxybenzylidene)aminomethyl]phenol
• Authors of publication: Kevran, S.; Elmali, A.; Elerman, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3256 - 3258
• a: 6.246 ± 0.003 Å
• b: 7.187 ± 0.004 Å
• c: 31.334 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1406.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.0958
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No