Information card for entry 2227295

Structure parameters

• Chemical name: 1-(4-Fluorophenyl)biguanid-1-ium chloride
• Formula: C8 H11 Cl F N5
• Calculated formula: C8 H11 Cl F N5
• SMILES: Fc1ccc(cc1)[NH+]=C(N=C(N)N)N.[Cl-]
• Title of publication: 1-(4-Fluorophenyl)biguanid-1-ium chloride
• Authors of publication: Tutughamiarso, Maya; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2648
• a: 6.9954 ± 0.0005 Å
• b: 9.2187 ± 0.0004 Å
• c: 16.3149 ± 0.0011 Å
• α: 90°
• β: 91.111 ± 0.005°
• γ: 90°
• Cell volume: 1051.93 ± 0.11 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: 0.0512
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes