Information card for entry 2011565

Structure parameters

• Common name: 1,3,5-Trichloro-2,4-dinitrobenzene
• Chemical name: 1,3,5-Trichloro-2,4-dinitrobenzene
• Formula: C6 H Cl3 N2 O4
• Calculated formula: C6 H Cl3 N2 O4
• SMILES: Clc1cc(Cl)c(c(Cl)c1N(=O)=O)N(=O)=O
• Title of publication: Redetermination of 1,3,5-trichloro-2,4-dinitrobenzene
• Authors of publication: Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e532 - e532
• a: 7.933 ± 0.007 Å
• b: 9.328 ± 0.006 Å
• c: 12.814 ± 0.009 Å
• α: 90°
• β: 91.76 ± 0.04°
• γ: 90°
• Cell volume: 947.8 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.082
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No