Meijide del Río, Francisco ÁngelTrillo Novo, Juan VenturaFrutos del Río, Santiago deGancedo, CristinaSoto, Victor H.Galantini, LucianoJover Ramos, AidaVázquez Tato, José2021-04-162021-04-162015Meijide, 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-a006978-3-906980-55-3http://hdl.handle.net/10347/26004The 18th International Electronic Conference on Synthetic Organic Chemistry session General Organic SynthesisA 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 differenteng© 2015 by MDPI, Basel, Switzerland. Open AccessCholicBile acidCrystal structurebook part10.3390/ecsoc-18-a006open access