Information card for entry 2016397

Structure parameters

• Chemical name: (2<i>E</i>)-<i>N</i>-(2-Iodo-4,6-dimethylphenyl)-2-methylbut-2-enamide
• Formula: C14 H18 I N O
• Calculated formula: C13.9794 H17.9382 I1.015 N O
• Title of publication: (2<i>E</i>)-<i>N</i>-(2-Iodo-4,6-dimethylphenyl)-2-methylbut-2-enamide
• Authors of publication: Hughes, David L.; McDermott, Michael C.; Stephenson, G. Richard; Walkington, Andrew J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o7 - o9
• a: 8.8872 ± 0.0006 Å
• b: 9.3897 ± 0.0006 Å
• c: 10.1875 ± 0.0007 Å
• α: 66.389 ± 0.004°
• β: 67.135 ± 0.004°
• γ: 76.842 ± 0.005°
• Cell volume: 715.14 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes