Information card for entry 2224693

Structure parameters

• Chemical name: 2-(2-{[2-(2-Pyridylcarbonyl)hydrazono]methyl}phenoxy)acetic acid
• Formula: C15 H13 N3 O4
• Calculated formula: C15 H13 N3 O4
• SMILES: n1c(cccc1)C(=O)N/N=C/c1ccccc1OCC(=O)O
• Title of publication: 2-(2-{[2-(2-Pyridylcarbonyl)hydrazono]methyl}phenoxy)acetic acid
• Authors of publication: Liu, Bao-Yu; Liu, Zheng; Wang, Guo-Rui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o26
• a: 8.871 ± 0.002 Å
• b: 9.042 ± 0.002 Å
• c: 17.389 ± 0.004 Å
• α: 90°
• β: 94.765 ± 0.003°
• γ: 90°
• Cell volume: 1390 ± 0.5 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: 0.1381
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes