Crystal structure and Hirshfeld surface analysis of 1-(2-chloroacetyl)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one

In the crystal structure of the title compound, C<sub>22</sub>H<sub>24</sub>ClNO<sub>2</sub>, the piperidine ring adopts a boat conformation. Intra- and inter-molecular C-H⋯Cl hydrogen bonds are observed. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions contribute most to the crystal packing (56.1%).

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Publication Details

Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2026-01-07
DOI
https://doi.org/10.1107/s2056989026000083
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

Crystal structure and Hirshfeld surface analysis of 1-(2-chloroacetyl)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one

T. Vidhyasagar, K. Rajeswari, Sivagnanam Divyabharathi, Sivashanmugam Selvanayagam
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

Crystal structure and Hirshfeld surface analysis of 1-(2-chloroacetyl)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one

T. Vidhyasagar, K. Rajeswari, Sivagnanam Divyabharathi, Sivashanmugam Selvanayagam
article en

Abstract

In the crystal structure of the title compound, C<sub>22</sub>H<sub>24</sub>ClNO<sub>2</sub>, the piperidine ring adopts a boat conformation. Intra- and inter-molecular C-H⋯Cl hydrogen bonds are observed. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions contribute most to the crystal packing (56.1%).

Acta Crystallographica Section E Crystallographic CommunicationsVol. 82(2)
Government Medical College (IN), Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology (IN), Annamalai University (IN)
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Openalex Percentile: Top 95%
Crystal structures of chemical compounds
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