Information card for entry 2226238

Structure parameters

• Common name: Amiloride hydrochloride methanol disolvate
• Chemical name: 2-(3,5-diamino-6-chloropyrazin-2-ylcarbonyl)guanidinium chloride methanol disolvate
• Formula: C8 H17 Cl2 N7 O3
• Calculated formula: C8 H17 Cl2 N7 O3
• SMILES: n1c(Cl)c(N)nc(N)c1C(=O)NC(=[NH2+])N.[Cl-].OC.OC
• Title of publication: Amiloride hydrochloride methanol disolvate
• Authors of publication: Ton, Cuong Quoc; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1364
• a: 5.9473 ± 0.0005 Å
• b: 16.7278 ± 0.0017 Å
• c: 14.7784 ± 0.0015 Å
• α: 90°
• β: 90.08 ± 0.008°
• γ: 90°
• Cell volume: 1470.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes