By Gautam R. Desiraju, Thomas Steiner
ISBN-10: 0198509707
ISBN-13: 9780198509707
The susceptible or non-conventional hydrogen bond has been the topic of excessive scrutiny over contemporary years. even supposing the life of this kind of hydrogen bond used to be advised a long time in the past, examine has commonly desirous about the more advantageous and extra recognized sorts of hydrogen bonds. although, a growing to be physique of experimental and theoretical proof now confirms that hydrogen bonds like C-H...O, O-H..., C-H... or even bonds similar to O-H...metal play distinct roles in structural chemistry and biology. This ebook offers a serious evaluate of this attention-grabbing and sometimes debatable interplay kind. it is going to be an invaluable source for quite a lot of researchers in structural and supramolecular technological know-how.
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Additional resources for The Weak Hydrogen Bond: In Structural Chemistry and Biology (International Union of Crystallography Monographs on Crystallography)
Sample text
C) Copyright Oxford University Press, 2003 - 2010. All Rights Reserved. html). 0001 interaction (Fig. 16). 59 suggestion of Kroon (1995), related histograms for O H O hydrogen bonds in carbohydrates are drawn in the same figure and immediately show the close similarity of the angular characteristics of O H O and short C H O hydrogen bonds (Fig. 16). A very similar histogram was obtained subsequently for C H O bonds donated by C H of amino acids (Steiner 1995a). 4 Å, the directionality rapidly becomes weaker.
In the context of database studies, for this is where the issue of a cut-off arises most frequently, no cut-off indeed need be specified. 8 A for H-normalized data but even longer values have been considered as being justified and necessary, on occasion. More complex and accurate prescriptions have been suggested in studies of small, homogeneous groups of crystal structures but the above cutoff provides generality with the attendant simplicity. Of course mean geometries will inevitably depend on the particular d range chosen but this is not a problem if comparisons are being made, say within the overall group of structures being studied.
Html). 0001 though wrong, is harmless. For C(sp) H O geometries, the situation is largely similar. For the general C H O/N distribution, however, where distances d are generally longer, the van der Waals cut-off roughly bisects the distribution and the use of such a cut-off is now definitely ambiguous. For the even weaker C H n hydrogen bond, the van der Waals cut-off is nearly at the beginning of the distance distribution. Here, the use of a van der Waals cut-off would be catastrophic. And yet, the O H O, C H O/N and C H interactions have many similar attributes, properties and consequences.
The Weak Hydrogen Bond: In Structural Chemistry and Biology (International Union of Crystallography Monographs on Crystallography) by Gautam R. Desiraju, Thomas Steiner
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