Information card for entry 2211784

Structure parameters

• Chemical name: 4-Methoxyphenylguanidinium chloride
• Formula: C8 H12 Cl N3 O
• Calculated formula: C8 H12 Cl N3 O
• SMILES: [Cl-].O(C)c1ccc(NC(=[NH2+])N)cc1
• Title of publication: 4-Methoxyphenylguanidinium chloride
• Authors of publication: Hong Ren; Chao Cai; Jun-Zhi Liu; Jian-Wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o306 - o307
• a: 6.605 ± 0.004 Å
• b: 7.618 ± 0.005 Å
• c: 10.497 ± 0.007 Å
• α: 70.778 ± 0.008°
• β: 78.696 ± 0.009°
• γ: 89.888 ± 0.009°
• Cell volume: 487.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes