Information card for entry 2204583

Structure parameters

• Chemical name: 5-Bromo-1,3-dichloro-2-iodobenzene
• Formula: C6 H2 Br Cl2 I
• Calculated formula: C6 H2 Br Cl2 I
• SMILES: c1(c(cc(cc1Cl)Br)Cl)I
• Title of publication: 5-Bromo-1,3-dichloro-2-iodobenzene
• Authors of publication: M. Arun Prasad; Babu Varghese; M. V. Sangaranarayanan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1933 - o1934
• a: 11.63 ± 0.006 Å
• b: 10.02 ± 0.004 Å
• c: 16.3 ± 0.01 Å
• α: 90°
• β: 109.84 ± 0.04°
• γ: 90°
• Cell volume: 1786.7 ± 1.7 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: 0.0848
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes