Information card for entry 2241157

Structure parameters

• Chemical name: 2-{2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene}acetonitrile
• Formula: C22 H22 N2
• Calculated formula: C22 H22 N2
• SMILES: N1[C@H]([C@@H]2C(=CC#N)[C@H]([C@H]1c1ccccc1)CCC2)c1ccccc1
• Title of publication: Crystal structure of 2-(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)acetonitrile
• Authors of publication: Priya, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o792 - o793
• a: 7.9672 ± 0.0005 Å
• b: 8.3129 ± 0.0005 Å
• c: 13.6069 ± 0.0008 Å
• α: 89.607 ± 0.004°
• β: 81.886 ± 0.004°
• γ: 84.469 ± 0.004°
• Cell volume: 888 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes