Concerted hydrogen bond and Hirshfeld surface analysis of Curcumin, Curcuma longa


  • Saifon A. Kohnhorst Chemistry Program, Faculty of Science and Technology, Nakhon Ratchasima Rajabhat University, Nakhon Ratchasima 30000, Thailand
  • Saowanit Saithong Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand


crystal structure, curcuma longa, curcumin, curcuminoid, Hirshfeld surface analysis, hydrogen bond


Curcumin (C21H20O6) crystals were obtained from attempts to cocrystallize curcumin with amino acid in mixed ethanol/methanol solvent.  The curcumin structure, solved and refined by single crystal X-ray diffraction, exists in the enol form.  Analysis of the electron density demonstrates nonstatistical disorder of the positions for the enol proton forming a strong hydrogen bond stabilizing the enol form within the curcumin molecule.  Analysis of the intermolecular packing of the molecules shows that the crystal structure is assembled via two strong supramolecular O-H×××O interactions with distances of 2.4696(19) - 3.028(2) Å and a weak C-H×××O hydrogen bond, distance of 4.046(3) Å.  The hydrogen bond graph set notation was assigned (36) pattern.  Hirshfeld surface analysis indicates that the curcumin crystal structure is stabilized by the weak hydrogen bonds.  Crystal Data: C21H20O6 (Mr = 368.37 Daltons: monoclinic, space group P2/n (No. 13), a = 12.6956(3) Å, b = 7.2093(2) Å, c = 19.9362(5) Å, β = 95.276(2)°, V = 1816.96(8) Å3, Z = 4.


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How to Cite

Saifon A. Kohnhorst, & Saowanit Saithong. (2023). Concerted hydrogen bond and Hirshfeld surface analysis of Curcumin, Curcuma longa. Journal of Current Science and Technology, 9(2), 77–87. Retrieved from



Research Article