Information card for entry 2210044

Structure parameters

• Chemical name: 2, 5- Dichloro-4'-methoxybiphenyl
• Formula: C13 H10 Cl2 O
• Calculated formula: C13 H10 Cl2 O
• SMILES: c1(c(ccc(c1)Cl)Cl)c1ccc(cc1)OC
• Title of publication: 2,5-Dichloro-4'-methoxybiphenyl
• Authors of publication: Vyas, Sandhya M.; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4162 - o4163
• a: 9.4758 ± 0.0003 Å
• b: 14.2682 ± 0.0005 Å
• c: 9.5562 ± 0.0003 Å
• α: 90°
• β: 116.871 ± 0.0015°
• γ: 90°
• Cell volume: 1152.52 ± 0.07 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes