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Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey of analogous ring-containing structures

  • Alviri, Banafsheh Vahdani Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Iran
  • Pourayoubi, Mehrdad Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Iran
  • Saneei, Anahid Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Iran
  • Keikha, Mojtaba Department of Chemistry, Faculty of Sciences, Ferdowsi University of Mashhad, Iran
  • Lee, Arie van der Institut Européen des Membranes, Universitée de Montpellier, France
  • Crochet, Aurélien Fribourg Centre for Nanomaterials, FriMat, University of Fribourg, Department of Chemistry, Fribourg, Switzerland
  • Ajees, A. Abdul Department of Atomic and Molecular Physics, Manipal Institute of Technology, Manipal University, Karnataka, India
  • Nečas, Marek Department of Chemistry, Masaryk University, Kotlarska 2, Brno, Czech Republic - CEITEC - Central European Institute of Technology, Masaryk University, Kamenice, Brno, Czech Republic
  • Fromm, Katharina M. Fribourg Centre for Nanomaterials, FriMat, University of Fribourg, Department of Chemistry, Fribourg, Switzerland
  • Damodaran, Krishnan Department of Chemistry, University of Pittsburgh, Pittsburgh, USA
  • Jenny, Titus A. Department of Chemistry, University of Fribourg, Switzerland
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    04.01.2018
Published in:
  • Tetrahedron. - 2018, vol. 74, no. 1, p. 28–41
English 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.
Faculty
Faculté des sciences et de médecine
Department
Département de Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/306510
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