Information card for entry 2243949

Structure parameters

• Chemical name: 3-(Hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one
• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: O=C1[C@]([C@@H](N[C@H](c2ccccc2)C1)c1ccccc1)(CO)C.O=C1[C@@]([C@H](N[C@@H](c2ccccc2)C1)c1ccccc1)(CO)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one
• Authors of publication: Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• a: 17.3298 ± 0.0008 Å
• b: 14.1856 ± 0.0007 Å
• c: 6.5857 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.99 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes