Synthesis of <i>N</i>-(Anthracen-9-ylmethyl)-<i>N</i>-methyl-2-(phenylsulfonyl)ethanamine via Microwave Green Synthesis Method: X-ray Characterization, DFT and Hirshfeld Analysis

<i>N</i>-(Anthracen-9-ylmethyl)-<i>N</i>-methyl-2-(phenylsulfonyl)ethanamine <b>3</b> has been synthesized via the aza-Michael addition approach by reaction of the corresponding amine with the vinyl sulfone derivative under microwave conditions. The structure of t...

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Bibliographic Details
Main Authors: Mohyeddine Al-Qubati, Hazem A. Ghabbour, Saied M. Soliman, Abdullah Mohammed Al-Majid, Assem Barakat, Mujeeb A. Sultan
Format: Article
Language:English
Published: MDPI AG 2020-07-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/10/8/643
Description
Summary:<i>N</i>-(Anthracen-9-ylmethyl)-<i>N</i>-methyl-2-(phenylsulfonyl)ethanamine <b>3</b> has been synthesized via the aza-Michael addition approach by reaction of the corresponding amine with the vinyl sulfone derivative under microwave conditions. The structure of the aza-Michael product <b>3</b> is elucidated by X-ray crystallography. The study of molecular packing by employing the Hirshfeld analysis indicates that the percentages of O…H, C…H and H…H contacts are 16.8%, 34.1% and 48.6%, respectively, where the O...H hydrogen bonds have the characteristics of short and strong contacts while the C...H contacts are considered weak. Density functional theory (DFT) investigations show that the aza-Michael product <b>3</b> is polar with a net dipole moment of 5.2315 debye.
ISSN:2073-4352