Information card for entry 8102270

Structure parameters

• Formula: C14 H10 Cl2 N2 O4
• Calculated formula: C14 H10 Cl2 N2 O4
• SMILES: Clc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1c(O)cc(O)cc1
• Title of publication: Crystal structure of 2,4-dihydroxybenzoic acid [1-(3,5-dichloro-2-hydroxy phenyl)methylidene]hydrazide, C14H10Cl2N2O4
• Authors of publication: Yun-Peng Diao; Shan-Shan Huang; Hou-Li Zhang; Ting-Guo Kang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 165
• a: 11.874 ± 0.002 Å
• b: 12.672 ± 0.003 Å
• c: 9.64 ± 0.0019 Å
• α: 90°
• β: 107.47 ± 0.03°
• γ: 90°
• Cell volume: 1383.6 ± 0.5 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: 0.0558
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No