Issue 47, 2014

Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and 15N NMR study

Abstract

We present the synthesis and characterization of seven new phosphoric triamides followed by analysis of hydrogen bond patterns of the new compounds as well as the phosphoric triamides found in the Cambridge Structural Database (CSD). The analysis of hydrogen bond patterns updates the previous work (Toghraee, Pourayoubi and Divjakovic in Polyhedron, 2011, 30, 1680) on phosphoric triamides with a C(O)NHP(O)[N]2 skeleton, and extends the analysis to other phosphoric triamides i.e. ones without a C[double bond, length as m-dash]O attached to the N of N–P[double bond, length as m-dash]O. For the new phosphoric triamides we also investigated their spectroscopic features (31P, 1H, 13C, and 15N NMR, mass spectroscopy, IR spectroscopy), measured the 1J(15N,31P) coupling constants and discussed the effective parameters.

Graphical abstract: Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and 15N NMR study

Supplementary files

Article information

Article type
Paper
Submitted
01 Sep 2014
Accepted
08 Oct 2014
First published
08 Oct 2014

CrystEngComm, 2014,16, 10870-10887

Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and 15N NMR study

M. Pourayoubi, M. Toghraee, J. Zhu, M. Dušek, P. J. Bereciartua and V. Eigner, CrystEngComm, 2014, 16, 10870 DOI: 10.1039/C4CE01793E

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