Information card for entry 2018207

Structure parameters

• Common name: trichloromethylimidoylbenzamidine
• Chemical name: <i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide
• Formula: C9 H8 Cl3 N3
• Calculated formula: C9 H8 Cl3 N3
• SMILES: ClC(Cl)(Cl)C(=N)/N=C(\N)c1ccccc1
• 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: 10.2999 ± 0.0003 Å
• b: 10.9423 ± 0.0003 Å
• c: 15.6902 ± 0.0004 Å
• α: 85.5518 ± 0.0012°
• β: 86.5092 ± 0.0012°
• γ: 81.5436 ± 0.0011°
• Cell volume: 1741.67 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes