Information card for entry 2233762

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide)
• Chemical name: 2-bromo-<i>N</i>-[4-(2-bromo-2-methylpropanamido)phenyl]-2-methylpropanamide
• Formula: C14 H18 Br2 N2 O2
• Calculated formula: C14 H18 Br2 N2 O2
• SMILES: O=C(C(Br)(C)C)Nc1ccc(cc1)NC(=O)C(Br)(C)C
• Title of publication: <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(2-bromo-2-methylpropanamide)
• Authors of publication: Haridharan, N.; Ramkumar, V.; Dhamodharan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o811
• a: 13.834 ± 0.003 Å
• b: 6.4746 ± 0.0013 Å
• c: 9.4642 ± 0.0018 Å
• α: 90°
• β: 103.807 ± 0.009°
• γ: 90°
• Cell volume: 823.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2336
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes