Information card for entry 2235993

Structure parameters

• Chemical name: 2-[(<i>Z</i>)-(3-{[(<i>Z</i>)-2-Hydroxy-3,5-diiodobenzylidene]amino}propylimino)methyl]-4,6-diiodophenol
• Formula: C17 H14 I4 N2 O2
• Calculated formula: C17 H14 I4 N2 O2
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/CCC/N=C/c1cc(I)cc(I)c1O
• Title of publication: 2-[(<i>Z</i>)-(3-{[(<i>Z</i>)-2-Hydroxy-3,5-diiodobenzylidene]amino}propylimino)methyl]-4,6-diiodophenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2500
• a: 4.5578 ± 0.0003 Å
• b: 16.5095 ± 0.0011 Å
• c: 27.2417 ± 0.0018 Å
• α: 90°
• β: 91.736 ± 0.004°
• γ: 90°
• Cell volume: 2048.9 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes