Information card for entry 2238413

Structure parameters

• Chemical name: [(4<i>E</i>)-1-Methyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-ylidene]amino 3-methylbenzoate
• Formula: C29 H32 N2 O2
• Calculated formula: C29 H32 N2 O2
• SMILES: Cc1cccc(c1)C(=O)O/N=C1\C[C@H](c2ccccc2)N([C@@H]([C@H]1C(C)C)c1ccccc1)C.Cc1cccc(c1)C(=O)O/N=C1\C[C@@H](c2ccccc2)N([C@H]([C@@H]1C(C)C)c1ccccc1)C
• Title of publication: [(4<i>E</i>)-1-Methyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-ylidene]amino 3-methylbenzoate
• Authors of publication: Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1276
• a: 10.7837 ± 0.0004 Å
• b: 11.7075 ± 0.0004 Å
• c: 12.0586 ± 0.0004 Å
• α: 114.352 ± 0.003°
• β: 96.245 ± 0.002°
• γ: 109.53 ± 0.005°
• Cell volume: 1252.07 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes