RT Book,_Section
T1 Crystal Structure of a Head-to-Head Bis(cholic)-Urea Dimer
A1 Meijide del Río, Francisco Ángel
A1 Trillo Novo, Juan Ventura
A1 Frutos del Río, Santiago de
A1 Gancedo, Cristina
A1 Soto, Victor H.
A1 Galantini, Luciano
A1 Jover Ramos, Aida
A1 Vázquez Tato, José
K1 Cholic
K1 Bile acid
K1 Crystal structure
AB A head-to-head dimer of cholic acid linked at C3 carbon atoms by a urea bridge was synthesized and the crystal structure was studied. The crystal belongs to the monoclinic crystal system, space group I2. The packing shows a bilayer structure with alternating hydrophobic and hydrophilic layers. The horizontal and vertical planes of the two cholic residues are almost parallel to each other, the vertical ones being perpendicular to the bilayers. The hydrogen bond network is two-dimensional as it does not propagate in the direction perpendicular to the bilayers. It is noteworthy that the nitrogen atoms of the urea bridge do not participate in that network. The carbonyl urea group and only one of the ester of the two side chains form hydrogen bonds with two other dimers through the steroid hydroxy O7-H and O12-H groups. This means that each dimer forms eight hydrogen bonds but only four are different
PB MDPI
SN 978-3-906980-55-3
YR 2015
FD 2015
LK http://hdl.handle.net/10347/26004
UL http://hdl.handle.net/10347/26004
LA eng
NO Meijide, F., Trillo, J.V., de Frutos, S., Gancedo, C., Soto, Victor H., Galantini, L., Jover, A. & Vázquez Tato, J. (2015). Crystal Structure of a Head-to-Head Bis(cholic)-Urea Dimer. In J.A. Seijas, M.P. Vázquez Tato & S.K. Lin, Proceedings ECSOC-18: The 18Th International Electronic Conference On Synthetic Organic Chemistry: November 1-30, 2014. MDPI. doi: 10.3390/ecsoc-18-a006
NO The 18th International Electronic Conference on Synthetic Organic Chemistry session General Organic Synthesis
DS Minerva
RD 27 abr 2026