Title of article :
Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate
Author/Authors :
Leepasert, Theerachart Department of Chemistry - Faculty of Science - Kasetsart University, Thailand , Saparpakorn, Patchreenart Department of Chemistry - Faculty of Science - Kasetsart University, Thailand , Chainok, Kittipong Thammasat University Research Unit in Multifunctional Crystalline Materials and Applications (TU-MCMA) - Faculty of Science and Technology - Thammasat University, Thailand , Duangthongyou, Tanwawan Department of Chemistry - Faculty of Science - Kasetsart University, Thailand
Abstract :
The crystal structure of the natural product zeylenone, C21H18O7, was confirmed by single-crystal X-ray diffraction. The crystal structure has three chiral centers at positions C1, C5 and C6 of the cyclohexanone ring, but the absolute configuration could not be determined reliably. The methyl benzoate and benzoyloxy substituents at positions C1 and C5 of the cyclohexenone ring are on the same side of the ring with the dihedral angle between their mean planes being 16.25 (10)°. These rings are almost perpendicular to the cyclohexenone ring. The benzoate groups and two hydroxyl groups on the cyclohexenone ring form strong hydrogen bonds to consolidate the crystal structure. In addition, weak C—H⋯O hydrogen bonds also contribute to the packing of the structure.
Keywords :
crystal structure , Pipers griffithii , zeylenone , hydrogen bonds
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
