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Crystal Structure of a Head-to-Head Bis(cholic)-Urea Dimer
Published:
31 October 2014
by MDPI
in The 18th International Electronic Conference on Synthetic Organic Chemistry
session General Organic Synthesis
Abstract: 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.
Keywords: Cholic; bile acid; crystal structure
Comments on this paper
José Vázquez Tato
10 November 2014
Typescript error
There is a typescript error in page 3 of the paper:
The acronym "DEPC" refers to "Diethyl cyanophosphonate" and not to "Diethylpyrocarbonate" as indicated at the manuscript.
The acronym "DEPC" refers to "Diethyl cyanophosphonate" and not to "Diethylpyrocarbonate" as indicated at the manuscript.
Mohamed Moustafa
10 November 2014
I can see the acronym DEPC is correctly refers to DIETHYL PYROCARBONATE. You can find a lot of sources using this abbreviation.
for example sigma sell DEPC and its info as follows: product Number D5758 Storage Temperature 2-8°C
CAS #: 1609-47-8
Synonyms: DEPC, DEP, Pyrocarbonic Acid Diethyl ester, Diethyl Oxydiformate, dicarbonic acid diethyl ester6
for example sigma sell DEPC and its info as follows: product Number D5758 Storage Temperature 2-8°C
CAS #: 1609-47-8
Synonyms: DEPC, DEP, Pyrocarbonic Acid Diethyl ester, Diethyl Oxydiformate, dicarbonic acid diethyl ester6