Information card for entry 8104816

Structure parameters

• Formula: C15 H17 N3 O6
• Calculated formula: C15 H17 N3 O6
• SMILES: O=C(N/N=C/c1ccccc1OCC(=O)O)c1ncccc1.O.O
• Title of publication: The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6
• Authors of publication: Xi-Shi, Tai; Zhen, Ren; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 315 - 316
• a: 7.2155 ± 0.0008 Å
• b: 10.7519 ± 0.0008 Å
• c: 10.8562 ± 0.0008 Å
• α: 107.91 ± 0.007°
• β: 97.087 ± 0.008°
• γ: 100.409 ± 0.007°
• Cell volume: 773.68 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No