Information card for entry 2235054

Structure parameters

• Chemical name: 2,6-Dibromo-4-chloroaniline
• Formula: C6 H4 Br2 Cl N
• Calculated formula: C6 H4 Br2 Cl N
• SMILES: Brc1c(N)c(Br)cc(Cl)c1
• Title of publication: 2,6-Dibromo-4-chloroaniline
• Authors of publication: Ali, Umar Sharif; Siddiqui, Waseeq Ahmad; Ashraf, Adnan; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1904
• a: 13.3132 ± 0.0007 Å
• b: 3.9387 ± 0.0002 Å
• c: 16.5476 ± 0.0009 Å
• α: 90°
• β: 112.318 ± 0.002°
• γ: 90°
• Cell volume: 802.7 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes