Information card for entry 2222062

Structure parameters

• Chemical name: 2-Chloro-5-nitroaniline
• Formula: C6 H5 Cl N2 O2
• Calculated formula: C6 H5 Cl N2 O2
• SMILES: Clc1c(N)cc(N(=O)=O)cc1
• Title of publication: 2-Chloro-5-nitroaniline
• Authors of publication: Saeed, Aamer; Ashraf, Zaman; Batool, Mahira; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1417
• a: 13.6233 ± 0.001 Å
• b: 3.7445 ± 0.0003 Å
• c: 13.642 ± 0.0009 Å
• α: 90°
• β: 91.768 ± 0.005°
• γ: 90°
• Cell volume: 695.58 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes