Information card for entry 2221077

Structure parameters

• Chemical name: 4-Chloro-1-iodo-2-nitrobenzene
• Formula: C6 H3 Cl I N O2
• Calculated formula: C6 H3 Cl I N O2
• Title of publication: 4-Chloro-1-iodo-2-nitrobenzene
• Authors of publication: Tahir, M. Nawaz; Arshad, Muhammad Nadeem; Khan, Islam Ullah; Shafiq, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o535
• a: 4.1583 ± 0.0002 Å
• b: 14.5213 ± 0.0007 Å
• c: 13.799 ± 0.0006 Å
• α: 90°
• β: 93.361 ± 0.002°
• γ: 90°
• Cell volume: 831.8 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes