Title : ( Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey of analogous ring-containing structures )
Authors: Banafsheh Vahdani Alviri , Mehrdad Pourayoubi , Anahid Saneei , MOJTABA KEIKHA , Arie van der Lee , Aurélien Crochet , A. Abdul Ajees , Marek Nečas , Katharina M. Fromm , Krishnan Damodaran , Titus A. Jenny ,
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Abstract
The influence of a N heteroatom on the ring conformations of six- and seven-membered aliphatic rings in six new C(O)NHP(O)-based phosphoric triamide structures (analysed by X-ray crystallography) is investigated. Additionally the influence of steric and crystal packing effects is also studied by the analysis of Hirshfeld surfaces. The results are compared to analogous structures with three- to seven- aliphatic membered rings deposited in the Cambridge Structural Database. In the newly determined structures, the six-membered rings only show the near-chair conformation with a maximum deviation of the θ puckering parameter of 4.4° from the ideal chair value of 0°/180°, while the seven-membered rings are found in different conformations such as near-chair, twist chair and twist sofa.
Keywords
, Puckering parameter Six, member ring Seven, member ring Phosphoric triamide Hydrogen bond pattern Cambridge Structural Database
@article{paperid:1065861,
author = {Vahdani Alviri, Banafsheh and Pourayoubi, Mehrdad and Saneei, Anahid and KEIKHA, MOJTABA and Arie Van Der Lee and Aurélien Crochet and A. Abdul Ajees and Marek Nečas and Katharina M. Fromm and Krishnan Damodaran and Titus A. Jenny},
title = {Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey of analogous ring-containing structures},
journal = {Tetrahedron},
year = {2018},
volume = {74},
number = {1},
month = {January},
issn = {0040-4020},
pages = {28--41},
numpages = {13},
keywords = {Puckering parameter
Six-member ring
Seven-member ring
Phosphoric triamide
Hydrogen bond pattern
Cambridge Structural Database},
}
%0 Journal Article
%T Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey of analogous ring-containing structures
%A Vahdani Alviri, Banafsheh
%A Pourayoubi, Mehrdad
%A Saneei, Anahid
%A KEIKHA, MOJTABA
%A Arie Van Der Lee
%A Aurélien Crochet
%A A. Abdul Ajees
%A Marek Nečas
%A Katharina M. Fromm
%A Krishnan Damodaran
%A Titus A. Jenny
%J Tetrahedron
%@ 0040-4020
%D 2018
