Information card for entry 1548681

Structure parameters

• Chemical name: Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate
• Formula: C8 H7 Br Cl N O2
• Calculated formula: C8 H7 Br Cl N O2
• SMILES: c1(c(cc(cc1)Cl)Br)NC(=O)OC
• Title of publication: Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 1
• Pages of publication: x180054
• a: 4.6637 ± 0.0003 Å
• b: 9.4598 ± 0.0006 Å
• c: 11.9898 ± 0.0007 Å
• α: 111.639 ± 0.005°
• β: 101.035 ± 0.005°
• γ: 93.712 ± 0.005°
• Cell volume: 477.25 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes