Information card for entry 2242411

Structure parameters

• Chemical name: 3-(2-Chloroethyl)-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one
• Formula: C19 H20 Cl N O
• Calculated formula: C19 H20 Cl N O
• SMILES: ClCC[C@@H]1[C@H](N[C@H](CC1=O)c1ccccc1)c1ccccc1.ClCC[C@H]1[C@@H](N[C@@H](CC1=O)c1ccccc1)c1ccccc1
• Title of publication: Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones
• Authors of publication: Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 483 - 486
• a: 11.3306 ± 0.0003 Å
• b: 13.3638 ± 0.0004 Å
• c: 10.9821 ± 0.0003 Å
• α: 90°
• β: 91.996 ± 0.002°
• γ: 90°
• Cell volume: 1661.9 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes