Crystal and molecular structure of 2,6-bis(4-chlorophenyl)-3-phenylpiperidin-4-one by G. Ompraba, M. Srinivasan, S. Perumal, K. Sekar, A. R. Choudhury, T. N. Guru Row, Z. A. Rafi

Crystal Research and Technology

Cryst. Res. Technol. 38, 918 (2003) - Abstract -

Crystal and molecular structure of 2,6-bis(4-chlorophenyl)-3-phenylpiperidin-4-one

G. Ompraba, M. Srinivasan*, S. Perumal*, K. Sekar**, A. R. Choudhury***, T. N. Guru Row***, Z. A. Rafi

Bioinformatics Centre, School of Biotechnology, Madurai Kamaraj University, Madurai - 625021, India
*School of Chemistry, Madurai Kamaraj University, Madurai –625021, India
**Bioinformatics Centre and Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore -560012, India
***Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore -560012, India

Keywords	piperidone, bactericidal, fungicidal and herbicidal
PACS	61.10.Nz
DOI	10.1002/crat.200310113

The crystal structure of the title compound is described. The chemical formula of the compound is C₂₃H₁₉C_l2NO. The compound is found to crystallize in monoclinic system with space group P2₁/c, Z = 4. The unit cell dimensions are a = 15.137(3) Å, b = 8.9171(18) Å, c = 14.779(3) Å, β = 91.461(4)° and V = 1994.2(7) Å³, D_calc = 1.320 gcm^-3. The final R factor is 4.4%. The central piperidone ring of the molecule adopts a slightly distorted chair conformation, the mean torsion angle being 52.3°; the phenyl rings are planar.

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