Information card for entry 7241199

Structure parameters

• Formula: C18 H14 Br2 N2 O4
• Calculated formula: C18 H14 Br2 N2 O4
• Title of publication: The influence of structure on the methyl group dynamics of the polymorphic complexes: 6,6'-dimethyl-2,2'-dipyridyl with halo derivatives of benzoquinone acids
• Authors of publication: Rok, Magdalena; Moskwa, Marcin; Dopieralski, Przemyslaw; Medycki, Wojciech; Zamponi, Michaela; Bator, Grazyna
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 15.252 ± 0.004 Å
• b: 11.926 ± 0.002 Å
• c: 10.272 ± 0.004 Å
• α: 90°
• β: 108.83 ± 0.03°
• γ: 90°
• Cell volume: 1768.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No