Information card for entry 8105187

Structure parameters

• Formula: C14 H13 Cl N2 O4
• Calculated formula: C14 H13 Cl N2 O4
• SMILES: c1(cc(ccc1)O)C(=O)N/N=C/c1c(cccc1O)Cl.O
• Title of publication: Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-3-hydroxybenzo-hydrazide monohydrate, C14H13ClN2O4
• Authors of publication: Xu, Xue-Li; Li, Jin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 229 - 230
• a: 9.7353 ± 0.0013 Å
• b: 13.779 ± 0.0018 Å
• c: 10.5227 ± 0.0013 Å
• α: 90°
• β: 97.961 ± 0.002°
• γ: 90°
• Cell volume: 1397.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No