Information card for entry 7211897

Structure parameters

• Formula: C13 H16 Cl2 N2
• Calculated formula: C13 H16 Cl2 N2
• 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: 6.0828 ± 0.0009 Å
• b: 4.5346 ± 0.0009 Å
• c: 24.586 ± 0.005 Å
• α: 90°
• β: 90.694 ± 0.012°
• γ: 90°
• Cell volume: 678.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No