Information card for entry 2016160

Structure parameters

• Common name: N-(1-(p-toluidino)-2,2,2-trichloroethyl)-4-methylbenzenamine
• Chemical name: 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methylphenyl)ethane-1,1-diamine
• Formula: C16 H17 Cl3 N2
• Calculated formula: C16 H17 Cl3 N2
• SMILES: ClC(Cl)(Cl)C(Nc1ccc(cc1)C)Nc1ccc(cc1)C
• Title of publication: Two <i>N</i>,<i>N</i>'-diaryl-2,2,2-trichloroethane-1,1-diamines: hydrogen-bonded supramolecular structures in one and two dimensions
• Authors of publication: Zhen-Feng Zhang; Dong-Chao Wang; Jian-Ge Wang; Gui-Rong Qu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o524 - o527
• a: 5.9238 ± 0.0007 Å
• b: 14.6193 ± 0.0016 Å
• c: 19.093 ± 0.002 Å
• α: 90°
• β: 96.992 ± 0.001°
• γ: 90°
• Cell volume: 1641.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No