Information card for entry 2018209

Structure parameters

• Common name: trichloromethylimidoyl-4-bromobenzamidine
• Chemical name: 4-bromo-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide
• Formula: C9 H7 Br Cl3 N3
• Calculated formula: C9 H7 Br Cl3 N3
• SMILES: Brc1ccc(C(=NC(=N)C(Cl)(Cl)Cl)N)cc1
• Title of publication: Five related <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamides
• Authors of publication: Boeré, René T.; Roemmele, Tracey L.; Suduweli Kondage, Savini; Zhou, Jiamin; Parvez, Masood
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o273 - o277
• a: 5.8124 ± 0.0017 Å
• b: 23.379 ± 0.007 Å
• c: 9.715 ± 0.003 Å
• α: 90°
• β: 107.407 ± 0.003°
• γ: 90°
• Cell volume: 1259.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0285
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes