Information card for entry 2013201

Structure parameters

• Chemical name: 2-Amino-4-butylamino-6-methoxy-5-nitropyrimidine
• Formula: C9 H15 N5 O3
• Calculated formula: C9 H15 N5 O3
• Title of publication: Hydrogen bonding in nitroaniline analogues: a hydrogen-bonded chain of rings in 2-amino-4-butylamino-6-methoxy-5-nitropyrimidine
• Authors of publication: Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o19 - o21
• a: 20.5825 ± 0.0013 Å
• b: 8.8102 ± 0.0004 Å
• c: 13.0289 ± 0.0011 Å
• α: 90°
• β: 109.81 ± 0.003°
• γ: 90°
• Cell volume: 2222.8 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.17
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes