Information card for entry 8102140

Structure parameters

• Chemical name: 3,5-diiodosalicylaldehyde (2-hydroxybenzoyl)hydrazone
• Formula: C14 H10 I2 N2 O3
• Calculated formula: C14 H10 I2 N2 O3
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/NC(=O)c1c(O)cccc1
• Title of publication: Crystal structure of 3,5-diiodosalicylaldehyde (2-hydroxybenzoyl)hydrazone, C~14~H~10~I~2~N~2~O~3~
• Authors of publication: Li, Zhi-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 253 - 254
• a: 7.933 ± 0.003 Å
• b: 12.903 ± 0.004 Å
• c: 15.214 ± 0.005 Å
• α: 86.79 ± 0.003°
• β: 79.881 ± 0.004°
• γ: 89.345 ± 0.003°
• Cell volume: 1530.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No