Information card for entry 2018206

Structure parameters

• Common name: trichloromethylimidoyl-4-methoxybenzamidine
• Chemical name: 4-methoxy-<i>N</i>'-(2,2,2-trichloroethanimidoyl)benzene-1-carboximidamide
• Formula: C10 H10 Cl3 N3 O
• Calculated formula: C10 H10 Cl3 N3 O
• SMILES: ClC(Cl)(Cl)C(N=C(N)c1ccc(OC)cc1)=N
• 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: 12.0988 ± 0.001 Å
• b: 8.6425 ± 0.0007 Å
• c: 12.2023 ± 0.001 Å
• α: 90°
• β: 107.445 ± 0.001°
• γ: 90°
• Cell volume: 1217.23 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes