In the structure of the title compound, C27H39N 3O3, each of the (4-oxopiperidin-1-yl)methyl residues adopts a flattened chair conformation (with the N and carbonyl groups being oriented to either side of the central C4 plane) and they occupy positions approximately orthogonal to the central benzene ring [Cbenzene - C - Cmethyl-ene - N torsion angles 103.4 (2), -104.4 (3) and 71.9 (3)°]; further, two of these residues are oriented to one side of the central benzene ring with the third to the other side. In the crystal packing, supra-molecular layers in the ab plane are sustained by C - H⋯O inter-actions.

Sarveswari S

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Vijayakumar V

Rajesh K

Narasimhamurthy T

Tiekink E.R.T.

Fulltext

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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1-[2,4,6-Trimethyl-3,5-bis-(4-oxopiperidin-1-ylmeth-yl)benz-yl]piperidin-4-one.

Acta Crystallographica Section E Structure Reports Online

Abstract A new series of piperidine derivatives namely 3,5-dimethyl-2,6-diaryl-1-propionyl-piperidin-4-ones were synthesized. The structure of the compound, 3, 5-dimethyl-2,6-phenyl-1-propionyl-piperidin-4-one was determined unambiguously using NMR, IR and single crystal X-ray diffraction techniques. DFT and its time dependent version based calculations have been carried out to analyze its ground state electronic structure and to interpret the experimental spectroscopic data. The current study also explores into the spectroscopic property of these piperidine-4-one compounds and proposes these molecules as potential sunscreens and UV filters. © 2015 Elsevier B.V.

Journal of Molecular Structure

Synthesis, spectral characterization and DFT analysis for the validation of 2, 6 diaryl -piperidin-4-ones as potential sunscreens and UV filters

The ultrasound-promoted synthesis of novel bipodal and tripodalpiperidin-4- ones was carried out by the reaction of 4-piperidone hydrochloride monohydrate with different alkylating and acylating agents. It was preferably reduced to respective piperidin-4-ols by ultrasonic irradiation using silica chloride, which maintains higher yields by acting as an effective supporting polymer. The sterically hindered phthaloyl derivative of piperidin-4-one was synthesized by ultrasonic irradiation which was difficult by conventional methods. © 2011 Elsevier B.V. All rights reserved.

Ultrasonics Sonochemistry

Ultrasound-promoted synthesis of novel bipodal and tripodalpiperidin-4-ones and silica chloride mediated conversion to its piperidin-4-ols: Synthesis and structural confinements

The one pot, three component reaction of p-hydroxy benzaldehyde, β-ketoester, and ammonium acetate afforded the corresponding monopodal 1,4-dihydropyridines as building blocks, which in turn converted into diversified novel bipodal, tripodal, and tetrapodal 1,4-dihydropyridines with different alkylating agents through conventional as well as microwave assisted reactions. The unambiguous structural confinements of the all the synthesized compounds were drawn out with the help of 2D NMR (H-H COSY and C-H COSY).

Canadian Journal of Chemistry

Novel bipodal, tripodal, and tetrapodal 1,4-dihydropyridines — Microwave-assisted synthesis and structural confinements

Two independent mol-ecules comprise the asymmetric unit in the title compound, C18H20N2O4. One of the mol-ecules exhibits disorder in one of its 4-piperidone rings, which is disposed over two orientations [site occupancy of the major component = 0.651 (5)]. The first independent mol-ecule and the minor component of the second disordered mol-ecule are virtually superimposable. The central four C atoms in the major component of the disordered mol-ecule have an opposite orientation. All the 4-piperidone rings have a chair conformation. The carbonyl groups in each mol-ecule have approximate anti conformations [O=C⋯C=O = 146.2 (2) and -159.9 (2)°]. The 4-piperidone rings lie to opposite sides of the central benzene ring in both mol-ecules. In the crystal, mol-ecules are linked by C - H⋯O inter-actions. The crystal studied was found to be a non-merohedral twin (twin law -1 0 0, 0 1 0, 0 - 1/2 - 1), the fractional contribution of the minor component being approximately 11%.

1-{3-[(4-Oxopiperidin-1-yl)carbonyl]benzoyl}piperidin-4-one

In the mol-ecule of the title compound, C18H24N 2O2, the piperidine rings are in chair conformations. The crystal structure is stabilized by inter-molecular C-H⋯O hydrogen bonding. There are neither C-H⋯π nor π-π inter-actions in the structure.

1,1′-(p-Phenylenedimethylene)dipiperidin-4-one

<jats:p>An account is given of the development of the<jats:italic>SHELX</jats:italic>system of computer programs from<jats:italic>SHELX</jats:italic>-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in<jats:italic>SHELX</jats:italic>, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long.<jats:italic>SHELXL</jats:italic>is the most widely used program for small-molecule refinement and<jats:italic>SHELXS</jats:italic>and<jats:italic>SHELXD</jats:italic>are often employed for structure solution despite the availability of objectively superior programs.<jats:italic>SHELXL</jats:italic>also finds a niche for the refinement of macromolecules against high-resolution or twinned data;<jats:italic>SHELXPRO</jats:italic>acts as an interface for macromolecular applications.<jats:italic>SHELXC</jats:italic>,<jats:italic>SHELXD</jats:italic>and<jats:italic>SHELXE</jats:italic>are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for<jats:italic>high-throughput</jats:italic>phasing. This paper could serve as a general literature citation when one or more of the open-source<jats:italic>SHELX</jats:italic>programs (and the Bruker AXS version<jats:italic>SHELXTL</jats:italic>) are employed in the course of a crystal-structure determination.</jats:p>

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	No