Information card for entry 2007539

Structure parameters

• Common name: Phenformin
• Chemical name: 1-Phenethylbiguanide hydrochloride (Phenformin)
• Formula: C10 H16 Cl N5
• Calculated formula: C10 H16 Cl N5
• SMILES: [Cl-].c1(ccccc1)CC[NH+]=C(N=C(N)N)N
• Title of publication: 1-Phenethylguanidinium Chloride
• Authors of publication: Soriano-Lesh, Michelle Ann; Holt, Elizabeth M.; Aguirre García, Fermin; Soriano-García, Manuel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1187 - 1189
• a: 14.916 ± 0.003 Å
• b: 9.372 ± 0.002 Å
• c: 19.076 ± 0.004 Å
• α: 90°
• β: 107.64 ± 0.01°
• γ: 90°
• Cell volume: 2541.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.155
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.339
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No