Information card for entry 2206352

Structure parameters

• Common name: 6-nitro-2,3-xylidine
• Chemical name: 2,3-dimethyl-6-nitroaniline
• Formula: C8 H10 N2 O2
• Calculated formula: C8 H10 N2 O2
• SMILES: c1(c(c(c(cc1)C)C)N)N(=O)=O
• Title of publication: Stacking and N—H···O interactions in 2,3-dimethyl-6-nitroaniline
• Authors of publication: Kruszynski, Rafal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2379 - o2381
• a: 14.4439 ± 0.0011 Å
• b: 8.6837 ± 0.0006 Å
• c: 14.0031 ± 0.001 Å
• α: 90°
• β: 111.251 ± 0.009°
• γ: 90°
• Cell volume: 1636.9 ± 0.2 ų
• Cell temperature: 291 ± 0.3 K
• Ambient diffraction temperature: 291 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes