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
Pages :
10
From page :
1
To page :
10
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
Serial Year :
2016
Full Text URL :
Record number :
2618903
Link To Document :
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