Information card for entry 2211284

Structure parameters

• Chemical name: 1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene
• Formula: C10 H11 Cl2 N O2
• Calculated formula: C10 H11 Cl2 N O2
• SMILES: c1(c(c(c(c(c1)CCl)CCl)N(=O)=O)C)C
• Title of publication: 1,2-Bis(chloromethyl)-4,5-dimethyl-3-nitrobenzene
• Authors of publication: Chen, Yun-Feng; Cao, Li-Ping; Qin, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5724 - o5725
• a: 8.35 ± 0.004 Å
• b: 4.5282 ± 0.0019 Å
• c: 15.37 ± 0.007 Å
• α: 90°
• β: 103.118 ± 0.006°
• γ: 90°
• Cell volume: 566 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes