Information card for entry 7227877

Structure parameters

• Common name: bis(3-bromo-4-(dimethylamino)phenyl)methanone
• Chemical name: bis(3-bromo-4-(dimethylamino)phenyl)methanone
• Formula: C17 H18 Br2 N2 O
• Calculated formula: C17 H18 Br2 N2 O
• SMILES: C(=O)(c1cc(c(cc1)N(C)C)Br)c1cc(c(cc1)N(C)C)Br
• Title of publication: Halogen-bonded dimers and ribbons from the self-assembly of 3-halobenzophenones
• Authors of publication: Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 2202
• a: 18.632 ± 0.006 Å
• b: 8.288 ± 0.002 Å
• c: 14.009 ± 0.005 Å
• α: 90°
• β: 127.796 ± 0.008°
• γ: 90°
• Cell volume: 1709.4 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No