Information card for entry 2213445

Structure parameters

• Chemical name: N-(5-Bromo-2-iodophenyl)-N-methylcyclohexanecarboxamide
• Formula: C14 H17 Br I N O
• Calculated formula: C14 H17 Br I N O
• SMILES: c1(ccc(cc1N(C)C(=O)C1CCCCC1)Br)I
• Title of publication: <i>N</i>-(5-Bromo-2-iodophenyl)-<i>N</i>-methylcyclohexanecarboxamide
• Authors of publication: Slawin, Alexandra M. Z.; Nicoll, Sarah; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2117 - o2119
• a: 9.0837 ± 0.001 Å
• b: 12.2016 ± 0.0017 Å
• c: 13.702 ± 0.002 Å
• α: 88.495 ± 0.008°
• β: 84.782 ± 0.008°
• γ: 79.05 ± 0.008°
• Cell volume: 1484.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes