Information card for entry 2205617

Structure parameters

• Chemical name: 2,2'-Diaminodibenzyl
• Formula: C14 H16 N2
• Calculated formula: C14 H16 N2
• SMILES: Nc1c(cccc1)CCc1c(N)cccc1
• Title of publication: 2,2'-Diaminodibenzyl: a rare case of crystallographically non-compliant molecular symmetry
• Authors of publication: Narasegowda, R. S.; Malathy Sony, S. M.; Mondal, S.; Nagaraj, B.; Yathirajan, H. S.; Narasimhamurthy, T.; Charles, P.; Ponnuswamy, M. N.; Nethaji, M.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o843 - o845
• a: 5.4716 ± 0.0004 Å
• b: 12.48 ± 0.001 Å
• c: 16.695 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1140.03 ± 0.14 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes