Information card for entry 8102428

Structure parameters

• Formula: C16 H14 Cl2 N2 O5
• Calculated formula: C16 H14 Cl2 N2 O5
• SMILES: Clc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1cc2OCOc2cc1.OC
• Title of publication: Crystal structure of [3,4]dioxole-N'-(3,5-dichloro-2-hydroxybenzylidene)benzohydrazide - methanol (1:1), C15H10Cl2N2O4 · CH3OH
• Authors of publication: Dao-Xin Wu; Jiong Sun; Ming-Zhi Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 227
• a: 8.041 ± 0.001 Å
• b: 13.744 ± 0.002 Å
• c: 15.53 ± 0.002 Å
• α: 90°
• β: 100.201 ± 0.002°
• γ: 90°
• Cell volume: 1689.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No