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International Journal of Creative and Open Research in Engineering and Management

A Peer-Reviewed, Open-Access International Journal Supporting Multidisciplinary Research, Digital Publishing Standards, DOI Registration, and Academic Indexing.
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ISSN: 3108-1754 (Online)
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ISO Certification: 9001:2015
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Peer Review: Double Blind
Volume 02, Issue 7

Published on: July 2026

COMPARATIVE HIRSHFELD SURFACE ANALYSIS OF THE ENOL AND DIKETO TAUTOMERS OF CURCUMIN: INSIGHTS INTO CRYSTAL PACKING AND INTERMOLECULAR INTERACTIONS

Sumit Kumar

PG Department of Chemistry, Magadh University, Bodh-Gaya 824234
DOI:https://doi.org/10.55041/ijcope.v2i7.018

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Abstract

Curcumin has two main tautomeric forms: enol and diketone, which lead to different crystal packing and intermolecular interactions. A comparative Hirshfeld surface analysis was conducted using the crystal structures of enol (CCDC 636155) and diketone (CCDC 1111255) to compare intermolecular interactions forming crystal stability. In the enol form, H···H (41.1%), C···H (25.3%), and O···H (25.2%) interactions predominantly stabilize the crystal, while C···C (51.4%) and O···C (29.9%) interactions stabilize the crystal of the diketone form. This shows that keto-enol tautomerism plays a significant role in intermolecular interactions and crystal packing in curcumin. The results also show the impact on the relationship of the molecular structure of curcumin on the solid state and its polymorphic behavior.

How to Cite this Paper

Kumar, S. (2026). Comparative Hirshfeld Surface Analysis of the Enol and Diketo Tautomers of Curcumin: Insights into Crystal Packing and Intermolecular Interactions. International Journal of Creative and Open Research in Engineering and Management, <i>02</i>(7). https://doi.org/10.55041/ijcope.v2i7.018

Kumar, Sumit. "Comparative Hirshfeld Surface Analysis of the Enol and Diketo Tautomers of Curcumin: Insights into Crystal Packing and Intermolecular Interactions." International Journal of Creative and Open Research in Engineering and Management, vol. 02, no. 7, 2026, pp. . doi:https://doi.org/10.55041/ijcope.v2i7.018.

Kumar, Sumit. "Comparative Hirshfeld Surface Analysis of the Enol and Diketo Tautomers of Curcumin: Insights into Crystal Packing and Intermolecular Interactions." International Journal of Creative and Open Research in Engineering and Management 02, no. 7 (2026). https://doi.org/https://doi.org/10.55041/ijcope.v2i7.018.

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  • •Published on: Jul 03 2026
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