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Torsional and electronic factors control the C−H···O interaction

Abstract:

The precise role of non-conventional hydrogen bonds such as the C−H···O interaction in influencing the conformation of small molecules remains unresolved. Here we survey a series of β-turn mimetics using X-ray crystallography and NMR spectroscopy in conjunction with quantum calculation, and conclude that favourable torsional and electronic effects are important for the population of states with conformationally influential C−H···O interactions. Our results also highlight the challenge in atte...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

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Publisher copy:
10.1002/chem.201602905

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Department:
University College
Role:
Author
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Department:
Oxford, MPLS, Chemistry, Organic Chemistry
Role:
Author
Publisher:
Wiley-VCH Publisher's website
Journal:
Chemistry: A European Journal Journal website
Volume:
22
Issue:
46
Pages:
16513–16521
Publication date:
2016-11-02
Acceptance date:
2016-08-01
DOI:
ISSN:
1521-3765
Pubs id:
pubs:638034
URN:
uri:28146aa9-57af-4bc3-a706-c135896de8c8
UUID:
28146aa9-57af-4bc3-a706-c135896de8c8
Local pid:
pubs:638034
Paper number:
46

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