TY - JOUR
T1 - (±)-3-Oxo-1,2,3,9,10,10a-hexahydrophenanthrene-10a-carboxylic acid
T2 - Catemeric hydrogen bonding in a δ-keto acid
AU - Miller, Alan J.
AU - Brunskill, Andrew P.J.
AU - Lalancette, Roger A.
AU - Thompson, Hugh W.
PY - 1999/4/15
Y1 - 1999/4/15
N2 - The crystal structure of the title compound (C15H14O3) involves hydrogen-bonding catemers, with hydrogen bonds progressing from the carboxyl group of each molecule to the ketone group of a screw-related neighbor [O⋯O = 2.604 (3) Å]. This creates two parallel centrosymmetrically related single-strand hydrogen-bonding helices proceeding in the b direction through the chosen cell. Two intermolecular C=O⋯H-C close contacts were found, one involving the acid (2.39 Å) and one, the ketone (2.58 Å). A close contact was also found between a methylene C-H and the center of the aromatic π-cloud in a centrosymmetrically related molecule.
AB - The crystal structure of the title compound (C15H14O3) involves hydrogen-bonding catemers, with hydrogen bonds progressing from the carboxyl group of each molecule to the ketone group of a screw-related neighbor [O⋯O = 2.604 (3) Å]. This creates two parallel centrosymmetrically related single-strand hydrogen-bonding helices proceeding in the b direction through the chosen cell. Two intermolecular C=O⋯H-C close contacts were found, one involving the acid (2.39 Å) and one, the ketone (2.58 Å). A close contact was also found between a methylene C-H and the center of the aromatic π-cloud in a centrosymmetrically related molecule.
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U2 - 10.1107/S0108270198017417
DO - 10.1107/S0108270198017417
M3 - Article
AN - SCOPUS:0346964758
SN - 0108-2701
VL - 55
SP - 563
EP - 566
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
IS - 4
ER -