Information card for entry 2012272

Structure parameters

• Chemical name: 4-Iodo-2-methyl-5-nitroaniline
• Formula: C7 H7 I N2 O2
• Calculated formula: C7 H7 I N2 O2
• Title of publication: 4-Iodo-2-methyl-5-nitroaniline exhibits neither strong hydrogen bonding nor intermolecular I···nitro interactions
• Authors of publication: Garden, Simon J.; Glidewell, Christopher; Low, John N.; McWilliam, Susan A.; Pinto, Angelo C.; Skakle, Janet M. S.; Torres, Jose C.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1212 - 1214
• a: 13.5264 ± 0.0007 Å
• b: 4.2773 ± 0.0002 Å
• c: 16.3725 ± 0.0008 Å
• α: 90°
• β: 109.835 ± 0.001°
• γ: 90°
• Cell volume: 891.06 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes