Information card for entry 8105357

Structure parameters

• Formula: C18 H17 Cl N2 O5
• Calculated formula: C18 H17 Cl N2 O5
• SMILES: Clc1c(/C=N/NC(=O)c2ccc(O)cc2)c(O)ccc1.O=C1OCCC1
• Title of publication: Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4-hydroxybenzohydrazide — dihydrofuran-2(3H)-one (1/1), C18H17ClN2O5
• Authors of publication: Chen, Juan; Liu, Zhe; Yan, Haijun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 997 - 998
• a: 10.223 ± 0.008 Å
• b: 13.407 ± 0.009 Å
• c: 13.786 ± 0.009 Å
• α: 90°
• β: 109.825 ± 0.005°
• γ: 90°
• Cell volume: 1778 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1535
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No