Information card for entry 2217864

Structure parameters

• Chemical name: 11,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene
• Formula: C9 H9 Cl2 N O2
• Calculated formula: C9 H9 Cl2 N O2
• Title of publication: 1,3-Bis(chloromethyl)-2-methyl-5-nitrobenzene
• Authors of publication: Shao, Chang-Lun; Li, Chunyuan; Liu, Zhen; Wei, Mei-Yan; Wang, Chang-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o731
• a: 8.921 ± 0.003 Å
• b: 16.141 ± 0.006 Å
• c: 7.511 ± 0.003 Å
• α: 90°
• β: 111.929 ± 0.006°
• γ: 90°
• Cell volume: 1003.3 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes