Information card for entry 2023356

Structure parameters

• Common name: 4,4'-Methylenebis(2,6-diethylaniline)
• Chemical name: 4,4'-(Methanediyl)bis(2,6-diethylaniline)
• Formula: C21 H30 N2
• Calculated formula: C21 H30 N2
• Title of publication: Synthesis and crystal structures of 4,4′-methylenebis(2,6-diethylaniline) and 4,4′-methylenebis(3-chloro-2,6-diethylaniline)
• Authors of publication: Smirnov, Daniil E.; Morozov, Oleg S.; Afanasyeva, Ekaterina S.; Avdeev, Viktor V.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 8.9895 ± 0.0003 Å
• b: 11.8589 ± 0.0003 Å
• c: 17.6765 ± 0.0005 Å
• α: 90°
• β: 102.419 ± 0.0011°
• γ: 90°
• Cell volume: 1840.32 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No