Information card for entry 1548676

Structure parameters

• Common name: RNC
• Chemical name: 2,6-Dibromo-4-chlorophenyl isocyanide
• Formula: C7 H2 Br2 Cl N
• Calculated formula: C7 H2 Br2 Cl N
• SMILES: Brc1c([N]#C)c(Br)cc(Cl)c1
• Title of publication: 2,6-Dibromo-4-chlorophenyl isocyanide
• Authors of publication: Noland, Wayland E.; Tritch, Kenneth J.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x171819
• a: 4.7215 ± 0.0004 Å
• b: 10.0181 ± 0.0009 Å
• c: 8.7689 ± 0.0008 Å
• α: 90°
• β: 93.023 ± 0.004°
• γ: 90°
• Cell volume: 414.2 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes