TY - JOUR
T1 - (-)-3,6-dioxo-5β-cholanic acid
T2 - Hydrogen bonding in the hemihydrate of a steroidal diketo acid
AU - Thompson, Hugh W.
AU - Lalancette, Roger A.
AU - Brunskill, Andrew P.J.
PY - 2001/5
Y1 - 2001/5
N2 - The hemihydrate of the title diketo acid, C24H36O4·0.5H2O, forms hydrogen-bonded carboxyl dimers related by a C2 axis at crystallographic sites on the a and b edges of the chosen cell [O...O = 2.643 (7) and 2.716 (7) Å]. The ketone ends of the molecules approach each other at sites near (1/2,1/2,1/2), (1/2,0,1/2), (0,0,1/2) and (0,1/2,1/2) in an interleaved arrangement incorporating partial-occupancy water hydrogen bonded to the B-ring ketone.
AB - The hemihydrate of the title diketo acid, C24H36O4·0.5H2O, forms hydrogen-bonded carboxyl dimers related by a C2 axis at crystallographic sites on the a and b edges of the chosen cell [O...O = 2.643 (7) and 2.716 (7) Å]. The ketone ends of the molecules approach each other at sites near (1/2,1/2,1/2), (1/2,0,1/2), (0,0,1/2) and (0,1/2,1/2) in an interleaved arrangement incorporating partial-occupancy water hydrogen bonded to the B-ring ketone.
UR - http://www.scopus.com/inward/record.url?scp=0035337360&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035337360&partnerID=8YFLogxK
U2 - 10.1107/S0108270101002980
DO - 10.1107/S0108270101002980
M3 - Article
C2 - 11353275
AN - SCOPUS:0035337360
SN - 0108-2701
VL - 57
SP - 632
EP - 633
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
IS - 5
ER -