Search results for "Foldamer"
showing 4 items of 14 documents
Organocatalysts Fold to Generate an Active Site Pocket for the Mannich Reaction
2017
Catalysts containing urea, thiourea and tertiary amine groups fold into a three-dimensional organized structure in solution both in the absence as well as in the presence of substrates or substrate analogues, as indicated by solution NMR and computational studies. These foldamer catalysts promote Mannich reactions with both aliphatic and aromatic imines and malonate esters. Hammett plot and secondary kinetic isotope effects provide evidence for the C-C bond forming event as the turnoverlimiting step of the Mannich reaction. Computational studies suggest two viable pathways for the C-C bond formation step, differing in the activation modes of the malonate and imine substrates. The results sh…
Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conforma…
2012
Author's Final draft The crystal structures and molecular conformations of two foldamer-type oligoamides were analyzed. One polymorphic form and seven solvates were found for N¹,N³-bis(2-benzamidophenyl)benzene-1,3-dicarboxamide (the benzene variant), and two polymorphic forms and six solvates for N²,N⁶-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide (the pyridine variant). Three crystal structures of the benzene variant and seven structures of the pyridine variant were solved using single crystal X-ray diffraction. The crystal structures showed that the different modes of intramolecular hydrogen bonding strongly affect the conformation and folding of the molecules, which is most evidently…
CCDC 1523871: Experimental Crystal Structure Determination
2016
UCUBIG : N,N'-bis(2-(benzoylamino)phenyl)pyridine-2,6-dicarboxamide chloroform solvate Space Group: P21/c, Cell: a 13.8622(4)Å b 19.5031(4)Å c 11.3742(5)Å, α 90° β 93.5030(14)° γ 90°, Work published 2016 via Cambridge Crystallographic Data Centre.
CCDC 1455102: Experimental Crystal Structure Determination
2016
WAFYAG : N,N'-(((1,3-phenylenedisulfonyl)bis(azanediyl))bis(2,1-phenylene))dibenzamide perdeuteroacetone solvate Space Group: C2/c, Cell: a 24.9217(15)Å b 6.9550(5)Å c 20.6193(15)Å, α 90° β 105.782(7)° γ 90°. Work published 2016 via Cambridge Crystallographic Data Centre.