Title of article :
Crystal structure of an aryl cyclohexyl nonanoid, an antiproliferative molecule isolated from the spice Myristica malabarica
Author/Authors :
Bauri, Ajoy Kumar Bio-Organic Division - Bhabha Atomic Research Centre, Mu India , Foro, Sabine Institute of Materials Science - Darmstadt University of Technology, Germany , Nguyen Do, Nhu Quynh Accident and Emergency Department - Franco Vietnamese Hospital, Vietnam
Abstract :
The title compound, C21H26O5, an aryl cyclohexyl nonanoid {systematic name: 3,5-dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohexa-2,4-dien-1-one}, extracted from the spice plant Myristica malabarica comprises two ring components, a 4-hydroxyphenyl moiety and a 3,5-dihydroxycyclohexa-2,4-dienone moiety linked by a nonanoyl chain. The molecule has an extended essentially planar conformation stabilized by an intramolecular hydroxy O—H⋯Ocarbonyl hydrogen bond, giving a dihedral angle between the two ring systems of 6.37 (15)°. The C, O and H atoms associated with one of the hydroxy groups of the cyclohexadienone component are disordered over two sets of sites with site occupancies of 0.6972 and 0.3028. In the crystal, hydroxy O—H⋯O hydrogen bonds to carbonyl O-atom acceptors form large centrosymmetric R22(36) cyclic dimers, which are further extended into supramolecular one-dimensional ribbon structures along [1-11].
Keywords :
crystal structure , aryl cyclohexyl nonanoid , M. malabarica , antiproliferative activity , atom disorder and refinement , hydrogen bonding
Journal title :
Acta Crystallographica Section E: Crystallographic Communications