Information card for entry 1547210

Structure parameters

• Common name: Triamterene
• Chemical name: 6-phenylpteridine-2,4,7-triamine
• Formula: C12 H11 N7
• Calculated formula: C12 H11 N7
• SMILES: c1(ccccc1)c1c(N)nc2c(c(nc(n2)N)N)n1
• Title of publication: Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: A rational approach to solid form selection
• Authors of publication: Rehman, A.; Delori, A.; Hughes, D. S.; Jones, W.
• Journal of publication: Chemistry Central Journal
• Year of publication: 2017
• Journal volume: 63
• Pages of publication: 11
• a: 7.4432 ± 0.0015 Å
• b: 9.993 ± 0.002 Å
• c: 16.648 ± 0.003 Å
• α: 77.55 ± 0.02°
• β: 87.54 ± 0.03°
• γ: 87.09 ± 0.03°
• Cell volume: 1206.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No