Information card for entry 2016159

Structure parameters

• Common name: N-(1-(anilino)-2, 2, 2-trichloroethyl)benzenamine
• Chemical name: 2,2,2-trichloro-<i>N</i>,<i>N</i>'-diphenylethane-1,1-diamine
• Formula: C14 H13 Cl3 N2
• Calculated formula: C14 H13 Cl3 N2
• SMILES: ClC(Cl)(Cl)C(Nc1ccccc1)Nc1ccccc1
• 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: 6.1225 ± 0.0007 Å
• b: 15.7539 ± 0.0017 Å
• c: 15.202 ± 0.0016 Å
• α: 90°
• β: 95.936 ± 0.001°
• γ: 90°
• Cell volume: 1458.4 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No