Networking chiral coordination polymers through amide hydrogen bond interactions: Thermal stability and optical SHG investigations

2008 ◽  
Vol 11 (7) ◽  
pp. 791-794 ◽  
Author(s):  
Savarimuthu Philip Anthony
Author(s):  
Xiao-Liu Wu ◽  
Xiao-Min Zhang ◽  
Shu-Yun Huang ◽  
Wei-Na Zhou ◽  
Zhi-Chang Wang

[μ-N,N′-Bis(pyridin-3-yl)benzene-1,4-dicarboxamide-<!?show [forcelb]><!?tlsb=0.12pt>1:2κ2N:N′]bis{[N,N′-bis(pyridin-3-yl)benzene-1,4-dicarboxamide-κN]diiodidomercury(II)}, [Hg2I4(C18H14N4O2)3], is an S-shaped dinuclear molecule, composed of two HgI2units and threeN,N′-bis(pyridin-3-yl)benzene-1,4-dicarboxamide (L) ligands. The centralLligand is centrosymmetric and coordinated to two HgIIcationsviatwo pyridine N atoms, in asyn–synconformation. The two terminalLligands are monodentate, with one uncoordinated pyridine N atom, and each adopts asyn–anticonformation. The HgI2units show highly distorted tetrahedral (sawhorse) geometry, as the HgIIcentres lie only 0.34 (2) or 0.32 (2) Å from the planes defined by the I and pyridine N atoms. Supramolecular interactions, thermal stability and solid-state luminescence properties were also measured.


2016 ◽  
Vol 14 (33) ◽  
pp. 7972-7981 ◽  
Author(s):  
Nicholas H. Evans ◽  
Charles E. Gell ◽  
Michael J. G. Peach

A pyridine-N-oxide containing rotaxane has been prepared in 32% yield. The role of macrocycle structure in successful pseudo-rotaxane formation has been rationalised by a combination of NMR spectroscopy, X-ray crystallography and computational modelling.


2018 ◽  
Vol 74 (11) ◽  
pp. 1540-1546
Author(s):  
Guanghui Sun ◽  
Weilian Xie ◽  
Hong Xiao ◽  
Guohai Xu

The reaction of copper nitrate and triethanolamine with benzene-1,4-dicarboxylic acid (bdcH2) or 4,4′-[1,4-phenylenebis(oxy)]dibenzoic acid (podaH2) leads to the formation of poly[bis(μ4-benzene-1,4-dicarboxylato-κ4O1:O1′:O4:O4)bis{μ2-[bis(2-hydroxyethyl)amino]ethanolato-κ4N,O,O′,O′′:κO}tricopper(II)], [Cu3(C8H4O4)2(C6H14NO3)2] or [Cu3(μ4-bdc)2(teaH2)2] (I), and poly[bis{μ4-4,4′-[1,4-phenylenebis(oxy)]dibenzoato-κ4O:O′:O′′:O′′}bis{μ2-[bis(2-hydroxyethyl)amino]ethanolato-κ4N,O,O′,O′′:κO}tricopper(II)], [Cu3(C20H12O6)2(C6H14NO3)2] or [Cu3(μ4-poda)2(teaH2)2], (II). The two representative compounds contain a well-established Cu3cluster supporting a given 44network. The ligand length is the underlying factor that controls the degree of interpenetration. Controlled interpenetration can be facile to realise by elongating protocols. CompoundIshows a non-interpenetrating 44network, whereasIIfeatures a threefold interpenetrating network. Furthermore, similar hydrogen-bond interactions extend the different interpenetrating 44networks into three-dimensional supramolecular topologies. Variable-temperature magnetic studies showed a ferromagnetic coupling behaviour in the two complexes.


2005 ◽  
Vol 280 (23) ◽  
pp. 21791-21796 ◽  
Author(s):  
Elin Bergseng ◽  
Jiang Xia ◽  
Chu-Young Kim ◽  
Chaitan Khosla ◽  
Ludvig M. Sollid

Binding of peptide epitopes to major histocompatibility complex proteins involves multiple hydrogen bond interactions between the peptide main chain and major histocompatibility complex residues. The crystal structure of HLA-DQ2 complexed with the αI-gliadin epitope (LQPFPQPELPY) revealed four hydrogen bonds between DQ2 and peptide main chain amides. This is remarkable, given that four of the nine core residues in this peptide are proline residues that cannot engage in amide hydrogen bonding. Preserving main chain hydrogen bond interactions despite the presence of multiple proline residues in gluten peptides is a key element for the HLA-DQ2 association of celiac disease. We have investigated the relative contribution of each main chain hydrogen bond interaction by preparing a series of N-methylated αI epitope analogues and measuring their binding affinity and off-rate constants to DQ2. Additionally, we measured the binding of αI-gliadin peptide analogues in which norvaline, which contains a backbone amide hydrogen bond donor, was substituted for each proline. Our results demonstrate that hydrogen bonds at P4 and P2 positions are most important for binding, whereas the hydrogen bonds at P9 and P6 make smaller contributions to the overall binding affinity. There is no evidence for a hydrogen bond between DQ2 and the P1 amide nitrogen in peptides without proline at this position. This is a unique feature of DQ2 and is likely a key parameter for preferential binding of proline-rich gluten peptides and development of celiac disease.


2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.


2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.


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