Information card for entry 2014807

Structure parameters

• Common name: 1,4-bis(bromoacetamide)butane
• Chemical name: Butane-1,4-diyl bis(bromoacetamide)
• Formula: C8 H14 Br2 N2 O2
• Calculated formula: C8 H14 Br2 N2 O2
• SMILES: BrCC(=O)NCCCCNC(=O)CBr
• Title of publication: <i>N</i>,<i>N</i>'-Butane-1,4-diylbis(bromoacetamide)
• Authors of publication: Martínez-Palau, Meritxell; Urpí, Lourdes; Font-Bardia, Mercè; Puiggalí, Jordi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o345 - o347
• a: 8.7065 ± 0.0018 Å
• b: 7.7518 ± 0.0013 Å
• c: 9.333 ± 0.004 Å
• α: 90°
• β: 109.15 ± 0.02°
• γ: 90°
• Cell volume: 595 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1588
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes