Information card for entry 2232894

Structure parameters

• Chemical name: 4-methyl-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide
• Formula: C10 H10 Cl3 N3
• Calculated formula: C10 H10 Cl3 N3
• SMILES: C(=NC(C(Cl)(Cl)Cl)=N)(c1ccc(cc1)C)N
• Title of publication: 4-Methyl-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide
• Authors of publication: Roemmele, Tracey L.; Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3137
• a: 12.2952 ± 0.0007 Å
• b: 9.0696 ± 0.0006 Å
• c: 11.5407 ± 0.0007 Å
• α: 90°
• β: 109.661 ± 0.001°
• γ: 90°
• Cell volume: 1211.9 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes