Please use this identifier to cite or link to this item: https://scholarbank.nus.edu.sg/handle/10635/165299
Title: X-Ray Crystal Structure, Molecular Structure, Spectral And Antimicrobial Activity of t-(3)-Benzyl-r-(2),c-(6)-diphenylpiperidin-4-one
Authors: RAMALINGAM ARULRAJ 
S. Sivakumar
A. Thiruvalluvar
A. Manimekalai
Keywords: Crystal structure
piperidin-4-one
Conformation
Spectra
Antimicrobial activity
Issue Date: 30-Jun-2016
Publisher: Chemical Science Review and Letters
Citation: RAMALINGAM ARULRAJ, S. Sivakumar, A. Thiruvalluvar, A. Manimekalai (2016-06-30). X-Ray Crystal Structure, Molecular Structure, Spectral And Antimicrobial Activity of t-(3)-Benzyl-r-(2),c-(6)-diphenylpiperidin-4-one. Chemical Science Review and Letters 5 (18) : 99-105. ScholarBank@NUS Repository.
Abstract: The title compound, C24H23NO, crystallizes with two crystallographically independent molecules (A and B) in the asymmetric unit, in the monoclinic space group P21/n. In both molecules, the piperidine rings adopt a chair conformation and the phenyl rings and the benzyl group substituents are attached equatorially. Crystal data: Mr = 341.43, a = 9.8918 (5) Å, b = 30.6042 (12) Å, c = 12.3878 (6) Å, β = 92.426 (2)°, V = 3746.8 (3) Å3, Z = 8, λ(Mo Kα) = 0.71073 Å, T = 178 K, Dx = 1.211 Mg m-3, μ = 0.07 mm-1, Final R[F2> 2σ(F2)] = 0.066, wR(F2) = 0.150, S = 1.05. The spectra of the title compound reveal the presence of two isomers labeled as E (carbonyl carbon is anti to benzyl group at C3) and Z (carbonyl carbon is syn to benzyl group at C3) in solution and from the coupling constant values the favoured conformation for the Z- and E-isomers was found to be the normal chair conformation. The antibacterial and antifungal activities were also evaluated.
Source Title: Chemical Science Review and Letters
URI: https://scholarbank.nus.edu.sg/handle/10635/165299
ISSN: 2278-6783
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