Information card for entry 2002065

Structure parameters

• Formula: C20 H21 Cl2 N O
• Calculated formula: C20 H21 Cl2 N O
• SMILES: C[C@@H]1C(=O)[C@H](C)[C@H](N([C@H]1c1ccc(cc1)Cl)C)c1ccc(cc1)Cl
• Title of publication: Structure of 4-piperidone derivatives. III. 1,3,3-Trimethyl-2,6-diphenyl-4-piperidone and 2,6-bis(<i>p</i>-chlorophenyl)-1,3,5-trimethyl-4-piperidone
• Authors of publication: Sekar, K.; Parthasarathy, S.; Radhakrishnan, T. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 93 - 95
• a: 7.42 ± 0.002 Å
• b: 23.118 ± 0.001 Å
• c: 10.624 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1822.4 ± 0.6 ų
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No