<i>r</i>-2,<i>c</i>-6-Diphenylpiperidine

Maheshwaran, V.; Basheer, S. Abdul; Akila, A.; Ponnuswamy, S.; Ponnuswamy, M. N.

doi:10.1107/s1600536813020382

Acta Cryst E

2013

DOI: 10.1107/s1600536813020382

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r-2,c-6-Diphenylpiperidine

V. Maheshwaran¹,

S. Abdul Basheer²,

A. Akila³

et al.

Abstract: In the title compound, C17H19N, the piperidine ring adopts a chair conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring subtend dihedral angles of 81.04 (7) and 81.10 (7)° with the best plane of the piperidine ring. The crystal packing features C—H⋯π interactions.

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Cited by 2 publications

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Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[r-2,c-6-diphenyl-t-3-(propan-2-yl)piperidin-1-yl]ethan-1-one

Periyannan¹,

Beemarao²,

Kannan³

et al. 2020

Acta Crystallogr E Cryst Commun

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Supporting information: this article has supporting information at journals.iucr.org/e Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[r-2,c-6-diphenyl-t-3-(propan-2yl)piperidin-1-yl]ethan-1-oneIn the title compound, C 22 H 27 NO, the piperidine ring adopts a chair conformation. The dihedral angles between the mean plane of the piperidine ring and the phenyl rings are 89.78 (7) and 48.30 (8) . In the crystal, molecules are linked into chains along the b-axis direction by C-HÁ Á ÁO hydrogen bonds. The DFT/B3LYP/6-311 G(d,p) method was used to determine the HOMO-LUMO energy levels. The molecular electrostatic potential surfaces were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the intermolecular interactions in the molecule.

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Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[r-2,c-6-diphenyl-t-3-(propan-2-yl)piperidin-1-yl]ethan-1-one

Periyannan¹,

Beemarao²,

Kannan³

et al. 2020

Acta Crystallogr E Cryst Commun

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Crystal structure, DFT and Hirshfeld surface analysis of N-acetyl-t-3-methyl-r-2,c-6-diphenylpiperidine

Periyannan¹,

Beemarao²,

Kannan³

et al. 2022

Acta Crystallogr E Cryst Commun

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In the title compound [systematic name: 1-(3-methyl-2,6-diphenylpiperidin-1-yl)ethanone], C20H23NO, the piperidine ring adopts a distorted boat conformation, while the phenyl rings subtend a dihedral angle 65.1 (2)°. In the crystal, molecules are linked by C—H...O hydrogen bonds into chains extending along the b-axis direction. The DFT/B3LYP/6–311 G(d,p) method was used to determine the HOMO–LUMO energy levels. A Hirshfeld surface analysis was conducted to verify the contributions of the different intermolecular interactions, indicating that the important contributions to the crystal packing are from H...H (73.2%), C...H (18.4%) and O...H (8.4%) interactions.

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r-2,c-6-Diphenylpiperidine

Cited by 2 publications

References 8 publications

Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[r-2,c-6-diphenyl-t-3-(propan-2-yl)piperidin-1-yl]ethan-1-one

Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[r-2,c-6-diphenyl-t-3-(propan-2-yl)piperidin-1-yl]ethan-1-one

Crystal structure, DFT and Hirshfeld surface analysis of N-acetyl-t-3-methyl-r-2,c-6-diphenylpiperidine

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