TY - JOUR
T1 - (+)-3-Oxoglycyrrhetinic acid
T2 - Catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid
AU - Brunskill, Andrew P.J.
AU - Thompson, Hugh W.
AU - Lalancette, Roger A.
PY - 1999/11/15
Y1 - 1999/11/15
N2 - The crystal structure of the title compound, (+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,12aβ-heptamethyl- 1,2,3,4,4a,-5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ- icosa-hydropicene-2β-carboxylic acid, C30H44O4, involves carboxyl-to-ketone hydrogen-bonding catemers. Distorted hydrogen bonds progress from the carboxyl H atom of one molecule to the remote-ring ketone O atom of a screw-related neighbor [O⋯O = 2.975 (5) Å], yielding helical hydrogen-bonding chains which proceed in the b direction. Two C - H⋯O close contacts were found, connecting the unsaturated ketone (2.71 Å) and the acid carbonyl (2.55 Å) to separate screw-related neighbors.
AB - The crystal structure of the title compound, (+)-10,13-dioxo-2α,4aβ,6aα,6bβ,9,9,12aβ-heptamethyl- 1,2,3,4,4a,-5,6,6a,6b,7,8,8aα,9,10,11,12,12a,12bα,13,14bβ- icosa-hydropicene-2β-carboxylic acid, C30H44O4, involves carboxyl-to-ketone hydrogen-bonding catemers. Distorted hydrogen bonds progress from the carboxyl H atom of one molecule to the remote-ring ketone O atom of a screw-related neighbor [O⋯O = 2.975 (5) Å], yielding helical hydrogen-bonding chains which proceed in the b direction. Two C - H⋯O close contacts were found, connecting the unsaturated ketone (2.71 Å) and the acid carbonyl (2.55 Å) to separate screw-related neighbors.
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U2 - 10.1107/S0108270199010124
DO - 10.1107/S0108270199010124
M3 - Article
AN - SCOPUS:0342921607
VL - 55
SP - 1902
EP - 1905
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
SN - 0108-2701
IS - 11
ER -