Information card for entry 2011874

Structure parameters

• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: c1(ccc(cc1/C=[NH+]\c1c(ccc(c1)C)O)Cl)[O-]
• Title of publication: 5-Chloro-<i>N</i>-(2-hydroxy-5-methylphenyl)salicylaldimine
• Authors of publication: Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 485 - 486
• a: 5.966 ± 0.003 Å
• b: 13.392 ± 0.002 Å
• c: 14.898 ± 0.003 Å
• α: 90°
• β: 93.01 ± 0.02°
• γ: 90°
• Cell volume: 1188.7 ± 0.7 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes