Information card for entry 8102362

Structure parameters

• Formula: C16 H17 Cl N2 O5
• Calculated formula: C16 H17 Cl N2 O5
• SMILES: Clc1ccc(O)c(c1)/C=N/NC(=O)c1cc(OC)c(O)cc1.OC
• Title of publication: Crystal structure of 4-hydroxy-3-methoxy-N'-(5-chloro-2-hydroxy-benzylidene)benzohydrazide - methanol (1:1), C15H13ClN2O4 · CH3OH
• Authors of publication: Xiao-Yang Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 109
• a: 7.429 ± 0.003 Å
• b: 17.524 ± 0.003 Å
• c: 12.596 ± 0.002 Å
• α: 90°
• β: 91.196 ± 0.003°
• γ: 90°
• Cell volume: 1639.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1344
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No