Information card for entry 2230458

Structure parameters

• Chemical name: 6-Chloro-3-nitro-<i>N</i>-(propan-2-yl)pyridin-2-amine
• Formula: C8 H10 Cl N3 O2
• Calculated formula: C8 H10 Cl N3 O2
• SMILES: Clc1nc(NC(C)C)c(N(=O)=O)cc1
• Title of publication: 6-Chloro-3-nitro-<i>N</i>-(propan-2-yl)pyridin-2-amine
• Authors of publication: Qing, Xiao-Yu; Huang, Yun-Chuang; Yang, Ling-Ling; Xie, Yong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1480
• a: 7.4283 ± 0.0008 Å
• b: 8.9573 ± 0.001 Å
• c: 15.4301 ± 0.0017 Å
• α: 89.672 ± 0.009°
• β: 86.252 ± 0.009°
• γ: 78.86 ± 0.009°
• Cell volume: 1005.16 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes