Information card for entry 8103090

Structure parameters

• Chemical name: 3-chloro-<i>N'</i>-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide methanol solvate, C~14~H~9~ClI~2~N~2~O~2~.CH~3~OH
• Formula: C15 H13 Cl I2 N2 O3
• Calculated formula: C15 H13 Cl I2 N2 O3
• SMILES: Ic1cc(I)c(O)c(c1)/C=N/NC(=O)c1cc(Cl)ccc1.OC
• Title of publication: Crystal structure of 3-chloro-N'-(2-hydroxy-3,5-diiodobenzylidene)benzohydrazide methanol solvate, C14H9ClI2N2O2 · CH3OH
• 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: 13
• a: 9.0569 ± 0.0015 Å
• b: 9.4784 ± 0.0016 Å
• c: 11.3428 ± 0.0019 Å
• α: 95.6 ± 0.002°
• β: 109.723 ± 0.002°
• γ: 98.84 ± 0.002°
• Cell volume: 893.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No