Information card for entry 2233806

Structure parameters

• Chemical name: (<i>E</i>)-2-{4-[(Pyridin-2-yl)methylideneamino]phenyl}acetic acid
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• SMILES: OC(=O)Cc1ccc(/N=C/c2ncccc2)cc1
• Title of publication: (<i>E</i>)-2-{4-[(Pyridin-2-yl)methylideneamino]phenyl}acetic acid
• Authors of publication: Zheng, Zhen Nu; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o774
• a: 4.1558 ± 0.0001 Å
• b: 25.779 ± 0.0005 Å
• c: 11.2213 ± 0.0002 Å
• α: 90°
• β: 96.623 ± 0.001°
• γ: 90°
• Cell volume: 1194.14 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes