Information card for entry 7211896

Structure parameters

• Common name: di(4-aminophenyl)methane
• Chemical name: di(4-aminophenyl)methane
• Formula: C13 H14 N2
• Calculated formula: C13 H14 N2
• SMILES: C(c1ccc(cc1)N)c1ccc(cc1)N
• Title of publication: A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.
• Authors of publication: Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3824 - 3833
• a: 5.9003 ± 0.0005 Å
• b: 9.5998 ± 0.001 Å
• c: 19.1346 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1083.82 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No