Information card for entry 2235337

Structure parameters

• Common name: <i>N</i>-(4-chlorobenzylidene)-2-hydroxy-5-chloroaniline
• Chemical name: 4-Chloro-2-[(4-chlorobenzylidene)amino]phenol
• Formula: C13 H9 Cl2 N O
• Calculated formula: C13 H9 Cl2 N O
• SMILES: c1(c(ccc(c1)Cl)O)/N=C/c1ccc(cc1)Cl
• Title of publication: 4-Chloro-2-[(4-chlorobenzylidene)amino]phenol
• Authors of publication: Efil, Kürşat; Şen, Fatih; Bekdemir, Yunus; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1696
• a: 4.6615 ± 0.0002 Å
• b: 10.5375 ± 0.0005 Å
• c: 25.2153 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1238.59 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes