Synthesis and crystal structure analysis of 3-(4-methoxybenzyl)-2,3-Dihydro-4H-Chroman-4-One

Simon, Lalitha and Shalini, S and Girija, CR and Srinivasan, KK (2013) Synthesis and crystal structure analysis of 3-(4-methoxybenzyl)-2,3-Dihydro-4H-Chroman-4-One. European Scientific Journal, 9 (24). pp. 366-373. ISSN 1857- 7431

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3-(4-methoxybenzyl)-2,3-dihydro-4H-chroman-4-one(C17H16 O3) was synthesized by refluxing 2'-Hydroxydihydrochalcone dissolved in ethanol with paraformaldehyde and 50% aqueous diethylamine. The compound is characterized by IR,1HNMR, MS and X-ray diffraction studies. The X-ray structure analysis indicates that the crystal suffers from the positional disorder over two positions, atomC1 and C9 with required site occupancies of 0.590 and 0.410 leading to a conformational difference between the major and minor components. After applying similarity restraints, the final reliability index is 0.0275 for 2209 unique reflections .The crystal packing is stabilized by inter molecular C-H…O, C-H…π and π …π interactions

Item Type: Article
Uncontrolled Keywords: 3-Benzyl-4H-Chroman-4-one, Synthesis, Single Crystal XRD
Subjects: Engineering > MIT Manipal > Chemistry
Pharmacy > MCOPS Manipal > Pharmaceutical Chemistry
Depositing User: MIT Library
Date Deposited: 24 Oct 2013 09:30
Last Modified: 24 Oct 2013 09:30

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