Information card for entry 2242397

Structure parameters

• Chemical name: <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline
• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• SMILES: c1(c(O)cccc1)/N=C/c1ccc(Cl)cc1
• Title of publication: Reinvestigation of the crystal structure of <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H···N, O—H···O and C—H···π(arene) hydrogen bonds
• Authors of publication: Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 376 - 379
• a: 13.083 ± 0.0017 Å
• b: 5.8746 ± 0.0006 Å
• c: 14.825 ± 0.002 Å
• α: 90°
• β: 101.521 ± 0.004°
• γ: 90°
• Cell volume: 1116.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes