Structure of (+-)-threo-9,10,16-trihydroxypalmitic acid.
9,10,16-Trihydroxyhexadecanoic acid, C16H32O5, Mr = 304.4, triclinic, P1, a = 4.871 (1), b = 8.801 (1), c = 21.121 (2) alpha = 89.54 (1), beta = 84.88 (2), gamma = 76.35 (2) degrees, V = 876.14 (4) A3, Z = 2, Dx = 1.154 g cm-3, Mo K alpha, lambda = 0.71069 A, mu = 0.26 cm-1, F(000) = 336, T = 295 K. Final R = 0.055 for 1556 reflections with I greater than or equal to 3 sigma(I). The 16 C atoms form an all-trans zigzag chain. Each molecule is linked to seven neighboring molecules via eight possible hydrogen bonds with O...O distances varying from 2.591 (6) to 2.673 (3) A. Each carboxyl group is potentially hydrogen-bonded to the carboxyl and C16-OH groups of other molecules with O...O distances of 2.591 (6) and 2.644 (4) A. The conformation around the C9-C10 bond is gauche with an O3-C9-C10-O4 torsion angle of 66.4 (5) degrees.
Prasad
S M
SM
Department of Physics, University of Ranchi, India.
Ammon
H L
HL
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D003461:Crystallography; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D015394:Molecular Structure; D010169:Palmitic Acids
D010169:Palmitic Acids; C059860:aleuritolic acid