Information card for entry 2212105

Structure parameters

• Chemical name: 2'-(2-Hydroxy-3,5-diiodobenzylidene)isonicotinohydrazide methanol solvate
• Formula: C14 H13 I2 N3 O3
• Calculated formula: C14 H13 I2 N3 O3
• SMILES: Oc1c(cc(I)cc1I)/C=N/NC(=O)c1ccncc1.OC
• Title of publication: 2'-(2-Hydroxy-3,5-diiodobenzylidene)isonicotinohydrazide methanol solvate
• Authors of publication: He-Bing Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o972 - o973
• a: 8.977 ± 0.002 Å
• b: 9.114 ± 0.003 Å
• c: 11.387 ± 0.003 Å
• α: 92.099 ± 0.002°
• β: 111.455 ± 0.003°
• γ: 95.638 ± 0.002°
• Cell volume: 860.2 ± 0.4 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: 0.0553
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes