Information card for entry 7215570

Structure parameters

• Formula: C20 H22 Br2 N2 O2
• Calculated formula: C20 H22 Br2 N2 O2
• SMILES: C(=O)(CCCCCCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1
• Title of publication: Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions
• Authors of publication: Samai, Suman; Biradha, Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 482 - 492
• a: 22.113 ± 0.003 Å
• b: 5.1003 ± 0.0007 Å
• c: 17.945 ± 0.003 Å
• α: 90°
• β: 106.259 ± 0.004°
• γ: 90°
• Cell volume: 1942.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7200342
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No