Information card for entry 2023357

Structure parameters

• Common name: 4,4'-Methylenebis(3-chloro-2,6-diethylaniline)
• Chemical name: 4,4'-(MethAnediyl)bis(3-chloro-2,6-diethylaniline)
• Formula: C21 H28 Cl2 N2
• Calculated formula: C21 H28 Cl2 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: 8.993 ± 0.003 Å
• b: 9.654 ± 0.0013 Å
• c: 12.216 ± 0.004 Å
• α: 69.352 ± 0.011°
• β: 77.257 ± 0.012°
• γ: 87.67 ± 0.008°
• Cell volume: 967.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.75268 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No