Leepasert Theerachart, Saparpakorn Patchreenart, Chainok Kittipong, Duangthongyou Tanwawan
Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.
Thammasat University Research Unit in Multifunctional Crystalline Materials and Applications (TU-MCMA), Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12121, Thailand.
Acta Crystallogr E Crystallogr Commun. 2020 Jun 19;76(Pt 7):1096-1100. doi: 10.1107/S2056989020007793. eCollection 2020 Jul 1.
The crystal structure of the natural product zeylenone, CHO, was confirmed by single-crystal X-ray diffraction. The crystal structure has three chiral centers at positions C1, C5 and C6 of the cyclo-hexa-none ring, but the absolute configuration could not be determined reliably. The methyl benzoate and benzo-yloxy substituents at positions C1 and C5 of the cyclo-hexenone 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 cyclo-hexenone ring. The benzoate groups and two hydroxyl groups on the cyclo-hexenone 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.
天然产物泽伦酮（CHO）的晶体结构通过单晶X射线衍射得以确定。该晶体结构在环己酮环的C1、C5和C6位置有三个手性中心，但绝对构型无法可靠确定。环己烯酮环C1和C5位置的苯甲酸甲酯和苯甲酰氧基取代基位于环的同一侧，它们平均平面之间的二面角为16.25 (10)。这些环几乎垂直于环己烯酮环。环己烯酮环上的苯甲酸酯基团和两个羟基形成强氢键以巩固晶体结构。此外，弱C-H⋯O氢键也有助于结构的堆积。
