Information card for entry 1551725

Structure parameters

• Formula: C13 H10 N2 O2
• Calculated formula: C13 H10 N2 O2
• SMILES: C(=O)(c1ccc(cc1)/N=C/c1ccccn1)O
• Title of publication: Crystal Structure of Pyridinyl-2-methylene-4-aminobenzoic acid
• Authors of publication: ALIZADEH, Kamal; MORSALI, Ali
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 11
• a: 3.8458 ± 0.0016 Å
• b: 18.282 ± 0.007 Å
• c: 15.381 ± 0.006 Å
• α: 90°
• β: 92.21 ± 0.008°
• γ: 90°
• Cell volume: 1080.6 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No