Information card for entry 2212291

Structure parameters

• Chemical name: (E)-1-[(2-Chlorophenyl)methyleneamino]guanidinium chloride
• Formula: C8 H10 Cl2 N4
• Calculated formula: C8 H10 Cl2 N4
• SMILES: c1(ccccc1/C=N/NC(=[NH2+])N)Cl.[Cl-]
• Title of publication: (<i>E</i>)-1-[(2-Chlorophenyl)methyleneamino]guanidinium chloride
• Authors of publication: Sonar, Vijayakumar N.; Ring, Joshua R.; Siegler, Maxime; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o974 - o975
• a: 16.502 ± 0.0014 Å
• b: 7.2234 ± 0.0005 Å
• c: 8.5816 ± 0.0006 Å
• α: 90°
• β: 100.768 ± 0.003°
• γ: 90°
• Cell volume: 1004.92 ± 0.13 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.1018
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes