Information card for entry 2203924

Structure parameters

• Chemical name: N-phenylimidocarbonimidic diamide hydrochloride
• Formula: C8 H12 Cl N5
• Calculated formula: C8 H12 Cl N5
• SMILES: [Cl-].N(c1ccccc1)C(=NC(N)=[NH2+])N
• Title of publication: Redetermination of phenylbiguanide hydrochloride
• Authors of publication: Gustavo Portalone; Marcello Colapietro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1165 - o1166
• a: 9.3421 ± 0.0014 Å
• b: 6.6804 ± 0.0011 Å
• c: 17.297 ± 0.006 Å
• α: 90°
• β: 106.82 ± 0.02°
• γ: 90°
• Cell volume: 1033.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes