Information card for entry 2224974

Structure parameters

• Chemical name: 5-{[(<i>E</i>)-2-(4-Iodophenyl)hydrazinylidene]methyl}thiophene-2-carbaldehyde
• Formula: C12 H9 I N2 O S
• Calculated formula: C12 H9 I N2 O S
• SMILES: Ic1ccc(N/N=C/c2sc(cc2)C=O)cc1
• Title of publication: 5-{[(<i>E</i>)-2-(4-Iodophenyl)hydrazinylidene]methyl}thiophene-2-carbaldehyde
• Authors of publication: Wardell, Solange M. S. V.; de Lima, Geraldo M.; Tiekink, Edward R. T.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o271 - o272
• a: 6.9291 ± 0.0009 Å
• b: 11.7602 ± 0.001 Å
• c: 30.958 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2522.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes