Information card for entry 2013110

Structure parameters

• Chemical name: 2-amino-6-chloropurine
• Formula: C5 H4 Cl N5
• Calculated formula: C5 H4 Cl N5
• SMILES: n1c(N)nc2c(c1Cl)nc[nH]2
• Title of publication: Three 2-aminopurine derivatives
• Authors of publication: Daniel E. Lynch; Ian McClenaghan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o53 - o56
• a: 7.0855 ± 0.001 Å
• b: 7.0855 ± 0.001 Å
• c: 26.99 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1355 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes