Information card for entry 8101855

Structure parameters

• Chemical name: 2,2-diphenyl-4-dimethylaminopentanenitrile
• Formula: C19 H22 N2
• Calculated formula: C19 H22 N2
• SMILES: N#CC(CC(N(C)C)C)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 2,2-diphenyl-4-dimethyl-aminopentanenitrile, C~19~H~22~N~2~
• Authors of publication: Amani, A.; Rezanejade Bardajee, G.; Jafarpour, F.; Razaghi, M. O.; Yousefi Behzadi, M.; Haeri, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 549 - 550
• a: 8.6358 ± 0.0013 Å
• b: 15.162 ± 0.002 Å
• c: 12.807 ± 0.002 Å
• α: 90°
• β: 106.599 ± 0.003°
• γ: 90°
• Cell volume: 1607 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No