Information card for entry 2240080

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide
• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccc(cc3)C)CC2)cc1
• Title of publication: Crystal structure of 4-methyl-<i>N</i>-{[1-(4-methylbenzoyl)piperidin-4-yl]methyl}benzamide
• Authors of publication: Prathebha, K.; Reuben Jonathan, D.; Sathya, S.; Vasanthi, R.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1157
• a: 15.3749 ± 0.0006 Å
• b: 13.1575 ± 0.0005 Å
• c: 19.2929 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3902.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1836
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes