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Xanthine derivatives; intermolecular interactions; energy framework analysis; fingerprint plot; electrostatic potential.

In this study, we have performed a detailed quantitative analysis of the different intermolecular interactions present in 8-(4-ethoxyphenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (I). The molecule crystallizes in the P-1 space group with one molecule in the asymmetric unit. The molecule had a layeredcrystal packing wherein the molecular sheets are primarily formed by hydrogen bonds and the stabilization is dominated via the electrostatic energy contribution. This molecular sheet is then interconnected to other similar sheets via different stacking motifs with significant contribution from dispersion energy components

RAHUL SHUKLA¹ PRABAL BANDOPADHYAY² MANISHA SATHE² DEEPAK CHOPRA¹

1. Crystallography and Crystal Chemistry Laboratory, Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhopal By-Pass Road, Bhopal 462 066, Madhya Pradesh, India
2. Defence Research and Development Establishment (DRDE), Gwalior 474 002, Madhya Pradesh, India

Published

4 January 2020

Manuscript received

20 February 2020

Manuscript revised

9 August 2019

Accepted

25 September 2019