Information card for entry 2018208

Structure parameters

• Common name: trichloromethylimidoyl-4-chlorobenzamidine
• Chemical name: 4-chloro-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide
• Formula: C9 H7 Cl4 N3
• Calculated formula: C9 H7 Cl4 N3
• SMILES: ClC(Cl)(Cl)C(=N)/N=C(\N)c1ccc(Cl)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: 5.762 ± 0.002 Å
• b: 22.711 ± 0.008 Å
• c: 9.713 ± 0.004 Å
• α: 90°
• β: 106.031 ± 0.004°
• γ: 90°
• Cell volume: 1221.6 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes