Information card for entry 2204689

Structure parameters

• Chemical name: N-tert-Butyl-4-chloro-5-methyl-2-nitroaniline
• Formula: C11 H15 Cl N2 O2
• Calculated formula: C11 H15 Cl N2 O2
• SMILES: c1c(c(cc(c1NC(C)(C)C)N(=O)=O)Cl)C
• Title of publication: <i>N</i>-<i>tert</i>-Butyl-4-chloro-5-methyl-2-nitroaniline
• Authors of publication: Zhang, Ying; Feng, Tian-Yang; Li, Shu-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2501 - o2502
• a: 9.354 ± 0.003 Å
• b: 6.7787 ± 0.0012 Å
• c: 9.566 ± 0.003 Å
• α: 90°
• β: 102.72 ± 0.005°
• γ: 90°
• Cell volume: 591.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes