An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal:  The Role of the Hydrogen Bond

2004 ◽  
Vol 108 (20) ◽  
pp. 6144-6151 ◽  
Author(s):  
Hideaki Nagashima ◽  
Hidenari Inoue ◽  
Naoki Yoshioka
Keyword(s):  
Hydrogen Bond ◽  
Spin System ◽  
Nitronyl Nitroxide ◽  
One Dimensional ◽  
Antiferromagnetic Spin ◽  
Hydrogen Bonded

Water bridges anchored by a C–H⋯O hydrogen bond: the role of weak interactions in molecular solvation

2016 ◽  
Vol 18 (40) ◽  
pp. 27745-27749 ◽  
Author(s):  
Aditi Bhattacherjee ◽  
Sanjay Wategaonkar
Keyword(s):  
Hydrogen Bond ◽  
Ab Initio ◽  
Infrared Spectra ◽  
Direct Evidence ◽  
Weak Interactions ◽  
Imidazole Ring ◽  
Water Bridges ◽  
Hydrogen Bonded

Hydrogen-bonded water bridges are re-directed from a polar NH bond to a weakly activated C(2)–H bond upon N-methylation. Infrared spectra, supported by ab initio calculations, provide direct evidence of the role of the C(2)–H donor in the solvation of the imidazole ring.

Two single-enantiomer amidophosphoesters: a database study on the chirality of (O)2P(O)(N)-based structures

2019 ◽  
Vol 75 (1) ◽  
pp. 77-84 ◽  
Author(s):  
Fahimeh Sabbaghi ◽  
Mehrdad Pourayoubi ◽  
Marek Nečas ◽  
Krishnan Damodaran
Keyword(s):  
Hydrogen Bond ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Two Dimensional ◽  
One Dimensional ◽  
Space Groups ◽  
Structural Database ◽  
Graph Set ◽  
Hydrogen Bonded

The crystal structures of two single-enantiomer amidophosphoesters with an (O)2P(O)(N) skeleton, i.e. diphenyl [(R)-(+)-α-methylbenzylamido]phosphate, (I), and diphenyl [(S)-(−)-α-methylbenzylamido]phosphate, (II), both C20H20NO3P, are reported. In both structures, chiral one-dimensional hydrogen-bonded architectures, along [010], are mediated by N—H...OP interactions. The statistically identical assemblies include the noncentrosymmetric graph-set motif C(4) and the compounds crystallize in the chiral space group P21. As a result of synergistic co-operation from C—H...O interactions, a two-dimensional superstructure is built including a noncentrosymmetric R 4 4(22) hydrogen-bonded motif. A Cambridge Structural Database survey was performed on (O)2P(O)(N)-based structures in order to review the frequency of space groups observed in this family of compounds; the hydrogen-bond motifs in structures with chiral space groups and the types of groups inducing chirality are discussed. The 2,3 JX –P (X = H or C) coupling constants from the NMR spectra of (I) and (II) have been studied. In each compound, the two diastereotopic C6H5O groups are different, which is reflected in the different chemical shifts and some coupling constants.

Poly[(μ3-benzene-1,4-dicarboxylato)di-μ-chlorido-(triethanolamine)dicadmium(II)]: a cadmium–halide coordination polymer with a hydrogen-bonded three-dimensional framework

2012 ◽  
Vol 68 (4) ◽  
pp. m109-m112 ◽  
Author(s):  
Xiyun He ◽  
Jianyi Lv ◽  
Guohai Xu
Keyword(s):  
Hydrogen Bond ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Hydrogen Bond Donor ◽  
One Dimensional ◽  
The One ◽  
Hydroxy Groups ◽  
Hydrogen Bonded

The structure of the title compound, [Cd2(C8H4O4)Cl2(C6H15NO3)]n, consists of one-dimensional chains in which each centrosymmetric tetranuclear Cd4Cl4O2cluster is terminated by two chelating triethanolamine (teaH3) ligands but linked to two adjacent clusters through four bridging benzene-1,4-dicarboxylate (bdc) ligands. The tetranuclear Cd4Cl4O2clusters are held togetherviabridging Cl and O atoms. Three directional hydrogen bonds from the multi-podal hydroxy groups of the teaH3ligand stabilize and extend the one-dimensional chains into a three-dimensional framework. All three hydroxy groups of the teaH3ligand form hydrogen bonds, illustrating the fact that the teaH3ligand can serve as an excellent hydrogen-bond donor.

Rage Against Conformity: Ruthenium(ɪɪ) Bisterpyridine Complexes Respond to Crystal Engineering Instructions with Whelming Results

2017 ◽  
Vol 70 (5) ◽  
pp. 529 ◽  
Author(s):  
Hasti Iranmanesh ◽  
Kasun S. A. Arachchige ◽  
William A. Donald ◽  
Niamh Kyriacou ◽  
Chao Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Crystal Engineering ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bond Donor ◽  
One Dimensional ◽  
X Ray ◽  
Hydrogen Bonded

Four heteroleptic ruthenium(ii) complexes of 4′-functionalised 2,2′:6′,2′′-terpyridine are reported, along with their solid-state single-crystal X-ray structures. The complexes feature complementary hydrogen-bond donor (phenol) and acceptor (pyridyl) groups designed to assemble into one-dimensional polymers. In one example, the system obeys the programmed instructions to form a one-dimensional, self-complementary hydrogen-bonded polymer. In one other example, a water-bridged hydrogen-bonded polymer is formed. In the remaining two structures, aryl–aryl interactions dominate the intermolecular interactions, and outweigh the contribution of intermolecular hydrogen bonding.

An X-ray crystallographic and density functional theory study of (3Z)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one

2013 ◽  
Vol 69 (3) ◽  
pp. 258-262
Author(s):  
Kate J. Akerman ◽  
Orde Q. Munro
Keyword(s):  
Density Functional Theory ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Density Functional ◽  
Intermolecular Hydrogen Bond ◽  
Functional Theory ◽  
One Dimensional ◽  
X Ray ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonded

The Schiff base enaminones (3Z)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one, C13H17NO4S, (I), and (3Z)-4-(5-tert-butyl-2-hydroxyanilino)pent-3-en-2-one, C15H21NO2, (II), were studied by X-ray crystallography and density functional theory (DFT). Although the keto tautomer of these compounds is dominant, the O=C—C=C—N bond lengths are consistent with some electron delocalization and partial enol character. Both (I) and (II) are nonplanar, with the amino–phenol group canted relative to the rest of the molecule; the twist about the N(enamine)—C(aryl) bond leads to dihedral angles of 40.5 (2) and −116.7 (1)° for (I) and (II), respectively. Compound (I) has a bifurcated intramolecular hydrogen bond between the N—H group and the flanking carbonyl and hydroxy O atoms, as well as an intermolecular hydrogen bond, leading to an infinite one-dimensional hydrogen-bonded chain. Compound (II) has one intramolecular hydrogen bond and one intermolecular C=O...H—O hydrogen bond, and consequently also forms a one-dimensional hydrogen-bonded chain. The DFT-calculated structures [in vacuo, B3LYP/6-311G(d,p) level] for the keto tautomers compare favourably with the X-ray crystal structures of (I) and (II), confirming the dominance of the keto tautomer. The simulations indicate that the keto tautomers are 20.55 and 18.86 kJ mol−1lower in energy than the enol tautomers for (I) and (II), respectively.

Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues

2016 ◽  
Vol 72 (2) ◽  
pp. 105-111 ◽  
Author(s):  
Graham Smith ◽  
Daniel E. Lynch
Keyword(s):  
Hydrogen Bond ◽  
Secondary Structure ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Ion Pairs ◽  
Chain Structure ◽  
Organic Salt ◽  
Structure Generation ◽  
One Dimensional ◽  
Hydrogen Bonded

The morpholinium (tetrahydro-2H-1,4-oxazin-4-ium) cation has been used as a counter-ion in both inorganic and organic salt formation and particularly in metal complex stabilization. To examine the influence of interactive substituent groups in the aromatic rings of benzoic acids upon secondary structure generation, the anhydrous salts of morpholine with salicylic acid, C4H10NO+·C7H5O3−, (I), 3,5-dinitrosalicylic acid, C4H10NO+·C7H3N2O7−, (II), 3,5-dinitrobenzoic acid, C4H10NO+·C7H3N2O6−, (III), and 4-nitroanthranilic acid, C4H10NO+·C7H5N2O4−, (IV), have been prepared and their hydrogen-bonded crystal structures are described. In the crystal structures of (I), (III) and (IV), the cations and anions are linked by moderately strong N—H...Ocarboxylhydrogen bonds, but the secondary structure propagation differs among the three,viz.one-dimensional chains extending along [010] in (I), a discrete cyclic heterotetramer in (III), and in (IV), a heterotetramer with amine N—H...O hydrogen-bond extensions alongb, giving a two-layered ribbon structure. With the heterotetramers in both (III) and (IV), the ion pairs are linked though inversion-related N—H...Ocarboxylatehydrogen bonds, giving cyclicR44(12) motifs. With (II), in which the anion is a phenolate rather than a carboxylate, the stronger assocation is through a symmetric lateral three-centre cyclicR12(6) N—H...(O,O′) hydrogen-bonding linkage involving the phenolate and nitro O-atom acceptors of the anion, with extension through a weaker O—H...Ocarboxylhydrogen bond. This results in a one-dimensional chain structure extending along [100]. In the structures of two of the salts [i.e.(II) and (IV)], there are also π–π ring interactions, with ring-centroid separations of 3.5516 (9) and 3.7700 (9) Å in (II), and 3.7340 (9) Å in (IV).

scholarly journals Hydrogen-Bonded One-Dimensional Chains of Quinacridone on Ag(100) and Cu(111): The Role of Chirality and Surface Bonding

2020 ◽  
Vol 124 (45) ◽  
pp. 24861-24873
Author(s):  
Niklas Humberg ◽  
Rémi Bretel ◽  
Alexander Eslam ◽  
Eric Le Moal ◽  
Moritz Sokolowski
Keyword(s):  
One Dimensional ◽  
Surface Bonding ◽  
Hydrogen Bonded
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