Information card for entry 4500425

Structure parameters

• Common name: 4,4'-Methylene bis(2,6-dimethylaniline)
• Chemical name: 4,4'-Methylene bis(2,6-dimethylaniline)
• Formula: C17 H22 N2
• Calculated formula: C17 H22 N2
• SMILES: c1(c(c(cc(c1)Cc1cc(c(c(c1)C)N)C)C)N)C
• Title of publication: Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2194
• a: 8.255 ± 0.002 Å
• b: 9.132 ± 0.002 Å
• c: 11.431 ± 0.003 Å
• α: 93.69 ± 0.02°
• β: 110.27 ± 0.02°
• γ: 108.08 ± 0.02°
• Cell volume: 754 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No