Information card for entry 2231824

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylidene]cyclohexane-1- carbohydrazide
• Formula: C14 H10 I2 N2 O2
• Calculated formula: C14 H10 I2 N2 O2
• SMILES: Ic1cc(I)cc(/C=N/NC(=O)c2ccccc2)c1O
• Title of publication: <i>N</i>'-[(<i>E</i>)-2-Hydroxy-3,5-diiodobenzylidene]cyclohexane-1-carbohydrazide
• Authors of publication: Thirugnanasundar, A.; Suresh, J.; Meenakshi, C.; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2620
• a: 17.7495 ± 0.0013 Å
• b: 9.4273 ± 0.0006 Å
• c: 9.4684 ± 0.0007 Å
• α: 90°
• β: 103.052 ± 0.003°
• γ: 90°
• Cell volume: 1543.42 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes