Information card for entry 2203956

Structure parameters

• Chemical name: 4-amino-2-chloro-5-nitro-6-(propylamino)pyrimidine
• Formula: C7 H10 Cl N5 O2
• Calculated formula: C7 H10 Cl N5 O2
• SMILES: Clc1nc(NCCC)c(N(=O)=O)c(n1)N
• Title of publication: 4-Amino-2-chloro-5-nitro-6-(propylamino)pyrimidine
• Authors of publication: McKeveney, Declan; Quinn, Ronald J.; Janssen, Christian O.; Healy, Peter C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1260 - o1262
• a: 7.406 ± 0.003 Å
• b: 11.074 ± 0.003 Å
• c: 13.886 ± 0.005 Å
• α: 112.54 ± 0.02°
• β: 94.82 ± 0.03°
• γ: 101.69 ± 0.03°
• Cell volume: 1013.4 ± 0.7 ų
• Cell temperature: 295 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: 0.1209
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes