Information card for entry 2019810

Structure parameters

• Chemical name: 3-{(<i>E</i>)-[(3,4-Dichlorophenyl)imino]methyl}benzene-1,2-diol
• Formula: C13 H9 Cl2 N O2
• Calculated formula: C13 H9 Cl2 N O2
• SMILES: Clc1cc(/N=C/c2c(O)c(O)ccc2)ccc1Cl
• Title of publication: Crystal structure of 3-{(E)-[(3,4-dichlorophenyl)imino]methyl}benzene-1,2-diol
• Authors of publication: Tahir, Muhammad Nawaz; Shad, Hazoor Ahmad; Rauf, Abdul; Khan, Abdul Haleem
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o137
• a: 6.4237 ± 0.0008 Å
• b: 8.8412 ± 0.0011 Å
• c: 11.7799 ± 0.0015 Å
• α: 88.606 ± 0.006°
• β: 76.588 ± 0.006°
• γ: 70.193 ± 0.005°
• Cell volume: 611.19 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes