C–H···O interaction: Difference between revisions

Content deleted Content added
JL-Bot (talk | contribs)
m removing orphan template as not a valid orphan
Dusan1984 (talk | contribs)
No edit summary
Line 13:
The interaction energy of a C–H···O interaction is in the range of 1.0 - 2.0 kcal/mol. However, in the case of very [[acid]]ic hydrogen atoms, this value could be much higher.
 
C–H···O interactions can be important in [[drug design]]. Strong C-H...O interactions are observed in nucleic acids<ref>Dušan Ž Veljković, Vesna B Medakovic, Jelena M Andric and Snezana D. Zaric, C–H/O interactions of nucleic bases with water molecule. Crystallographic and quantum chemical study., CrystEngComm, 2014., DOI: 10.1039/C4CE00595C</ref>These interactions influence the structure of therapeutic proteins,<ref>K. Ramanathan, V. Shanthi, R. Sethumadhavan, Int J Pharm Pharm Sci, 2011, 3, 3, 324.</ref> and [[aromatic amino acid]]s from therapeutic proteins often donate hydrogen atoms and form C–H···O interactions. C–H···O interactions can also strengthen some other type of [[noncovalent interaction]]s, like O-H...π interactions.<ref>D. P. Malenov, G. V. Janjić, D. Ž. Veljković, S. D. Zarić, "Mutual influence of parallel, CH/O, OH/π and lone pair/π interactions in water/benzene/water system", Computational and Theoretical Chemistry, (2013), vol. 1018, 59 - 65. DOI: 10.1016/j.comptc.2013.05.030</ref>
 
== References ==