Information card for entry 4116772

Structure parameters

• Chemical name: N-(5-chloro-2-hydroxybenzylidene)-4-hydroxyaniline
• Formula: C13 H10 Cl N O2
• Calculated formula: C13 H10 Cl N O2
• Title of publication: Crystal Structure Change for the Thermochromy of N-Salicylideneanilines. The First Observation by X-ray Diffraction
• Authors of publication: Keiichiro Ogawa; Yoshiro Kasahara; Yohko Ohtani; Jun Harada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 7107 - 7108
• a: 7.224 ± 0.0003 Å
• b: 12.6908 ± 0.0008 Å
• c: 12.5188 ± 0.0007 Å
• α: 90°
• β: 93.606 ± 0.005°
• γ: 90°
• Cell volume: 1145.43 ± 0.11 ų
• Cell temperature: 375 ± 2 K
• Ambient diffraction temperature: 375 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1571
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No