Issue 11, 2018

Following Ramachandran 2: exit vector plot (EVP) analysis of disubstituted saturated rings

Abstract

Analysis of disubstituted heteroaliphatic, as well as all common saturated rings using the exit vector plots (EVPs) tool is described, which is based on the Cambridge Structural Database (CSD) data. It is shown that the combined EVPs for saturated rings are similar to those observed for cycloalkanes (i.e. α, β, γ, and δ regions are found). In addition to that, a new region (ε) is found which is not accessible by simple cycloalkane derivatives. It is shown that while introducing saturated rings into the molecules is widely considered as an approach to increase their non-planarity, not many of them are truly three-dimensional; some recommendations are given to address this issue.

Graphical abstract: Following Ramachandran 2: exit vector plot (EVP) analysis of disubstituted saturated rings

Article information

Article type
Paper
Submitted
18 Dec 2017
Accepted
16 Mar 2018
First published
19 Mar 2018

New J. Chem., 2018,42, 8355-8365

Following Ramachandran 2: exit vector plot (EVP) analysis of disubstituted saturated rings

O. O. Grygorenko, D. Demenko, D. M. Volochnyuk and I. V. Komarov, New J. Chem., 2018, 42, 8355 DOI: 10.1039/C7NJ05015A

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