Information card for entry 8103077

Structure parameters

• Chemical name: 2-chloro-<i>N'</i>-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide, C~14~H~9~ClI~2~N~2~O~2~
• Formula: C14 H9 Cl I2 N2 O2
• Calculated formula: C14 H9 Cl I2 N2 O2
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/NC(=O)c1c(Cl)cccc1
• Title of publication: Crystal structure of 2-chloro-N'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide, C14H9ClI2N2O2
• Authors of publication: Yu-Mei Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 85
• a: 14.405 ± 0.003 Å
• b: 11.55 ± 0.003 Å
• c: 9.807 ± 0.002 Å
• α: 90°
• β: 90.34 ± 0.002°
• γ: 90°
• Cell volume: 1631.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No