A recyclable hydroxyl functionalized polyindole hydrogel for sodium hydroxide extraction via the synergistic effect of cation–π interactions and hydrogen bonding

2018 ◽  
Vol 54 (70) ◽  
pp. 9785-9788 ◽  
Author(s):  
Guanjun Chang ◽  
Yan Wang ◽  
Cheng Wang ◽  
Yannan Li ◽  
Yewei Xu ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Synergistic Effect ◽  
Sodium Hydroxide ◽  
Π Interactions ◽  
Extraction Behavior ◽  
Highly Effective ◽  
New Type

We have successfully constructed a new type of recyclable indole-based hydrogel, which exhibited highly effective extraction behavior for hydroxide via the synergistic effect of cation–π interactions and hydrogen bonds.

(Pentane-2,4-dionato-κ2O,O′)(pyridin-2-amine-κN1)copper(II) and (pentane-2,4-dionato-κ2O,O′)(pyrimidin-2-amine-κN1)copper(II)

2012 ◽  
Vol 68 (3) ◽  
pp. m64-m68 ◽  
Author(s):  
Franc Perdih
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Point Of View ◽  
Metal Coordination ◽  
Π Interactions ◽  
Schiff Base Formation ◽  
Base Formation ◽  
Amine Ligand

The title compounds, [Cu(C5H7O2)2(C5H6N2)], (I), and [Cu(C5H7O2)2(C4H5N3)], (II), were prepared by the reaction of bis(pentane-2,4-dionato-κ2O,O′)copper(II) with pyridin-2-amine and pyrimidin-2-amine, respectively. From a chemical point of view, it is interesting that no Schiff base formation was observed. The compounds are isostructural, with both having a square-pyramidal coordination of the CuIIatom and intramolecular N—H...O hydrogen bonding. The additional N atom of the pyrimidin-2-amine ligand is not involved in hydrogen bonding or in metal coordination. In the crystal structure, chelate rings are involved in π–π interactions and molecules of (I) are linked togetherviaN—H...O hydrogen bonds.

scholarly journals Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C—N...π interactions

2018 ◽  
Vol 74 (12) ◽  
pp. 1717-1726
Author(s):  
Abderezak Addala ◽  
Zouaoui Setifi ◽  
Yukio Morimoto ◽  
Beñat Artetxe ◽  
Takashi Matsumoto ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Compound I ◽  
Π Interactions ◽  
Chain Compounds ◽  
Compound Ii ◽  
Ionic Components

Structures are reported for six closely related salts of tris(bipyridyl)iron(II) cations, namely tris(2,2′-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate, [Fe(C10H8N2)3](C8H3N4O)2.0.776H2O, (I), tris(2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate, [Fe(C10H8N2)3](C10H7N4S)(ClO4), (II), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate, [Fe(C12H12N2)3](C8H3N4O)(BF4).0.926C2H2O, (III), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate, [Fe(C12H12N2)3](C9H5N4O)(BF4), (IV), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate, [Fe(C12H12N2)3](C9H5N4S)(BF4), (V), and tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate, [Fe(C12H12N2)3](C10H7N4O)(BF4), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)2 units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C—H...N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C—N...π interactions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetrafluoridoborate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetrafluoridoborate anions are linked by C—H...F interactions to form an interrupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetrafluoridoborate anions are linked into C 2 2(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetrafluoridoborate anions are of the C 2 2(13) type.

Synthesis, properties, and OLED characteristics of 2,2′-bipyridine-based electron-transport materials: the synergistic effect of molecular shape anisotropy and a weak hydrogen-bonding network on molecular orientation

2016 ◽  
Vol 4 (17) ◽  
pp. 3699-3704 ◽  
Author(s):  
Yuichiro Watanabe ◽  
Hisahiro Sasabe ◽  
Daisuke Yokoyama ◽  
Teruo Beppu ◽  
Hiroshi Katagiri ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Electron Transport ◽  
Hydrogen Bonds ◽  
Synergistic Effect ◽  
Molecular Orientation ◽  
Molecular Shape ◽  
Shape Anisotropy ◽  
Intermolecular Hydrogen Bonds ◽  
Synthesis Properties ◽  
Hydrogen Bonding Network

We investigated the synergistic effect of molecular shape anisotropy and intermolecular hydrogen-bonds in the BPy derivatives on molecular orientation towards OLEDs.

The hydrogen-bonded complex bis(tert-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol–2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiralR53(10) hydrogen-bonded ring as a supramolecular synthon

2016 ◽  
Vol 72 (10) ◽  
pp. 720-723 ◽  
Author(s):  
Xiao-Qing Cai ◽  
Bei Tian ◽  
Jian-Nan Zhang ◽  
Zhi-Min Jin
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Functional Groups ◽  
High Probability ◽  
Internal Symmetry ◽  
Supramolecular Synthon ◽  
Π Interactions ◽  
Graph Set ◽  
Hydrogen Bonded

A fixed hydrogen-bonding motif with a high probability of occurring when appropriate functional groups are involved is described as a `supramolecular hydrogen-bonding synthon'. The identification of these synthons may enable the prediction of accurate crystal structures. The rare chiral hydrogen-bonding motifR53(10) was observed previously in a cocrystal of 2,4,6-trichlorophenol, 2,4-dichlorophenol and dicyclohexylamine. In the title solvated salt, 2C4H12N+·C6H3Cl2O−·(C6H3Cl2O−·C6H4Cl2O)·2C4H8O, five components, namely twotert-butylammonium cations, one 2,4-dichlorophenol molecule, one 2,4-dichlorophenolate anion and one 2,6-dichlorophenolate anion, are bound by N—H...O and O—H...O hydrogen bonds to form a hydrogen-bonded ring, with the graph-set motifR53(10), which is further associated with two pendant tetrahydrofuran molecules by N—H...O hydrogen bonds. The hydrogen-bonded ring has internal symmetry, with a twofold axis running through the centre of the 2,6-dichlorophenolate anion, and is isostructural with a previous and related structure formed from 2,4-dichlorophenol, dicyclohexylamine and 2,4,6-trichlorophenol. In the title crystal, helical columns are built by the alignment and twisting of the chiral hydrogen-bonded rings, along and across thecaxis, and successive pairs of rings are associated with each other through C—H...π interactions. Neighbouring helical columns are inversely related and, therefore, no chirality is sustained, in contrast to the previous case.

Problems with a conformation assignment of aryl-substituted resorc[4]arenes

2011 ◽  
Vol 76 (10) ◽  
pp. 1199-1222 ◽  
Author(s):  
Jakub Kaminský ◽  
Hana Dvořáková ◽  
Jan Štursa ◽  
Jitka Moravcová
Keyword(s):  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Quantum Chemical Calculations ◽  
Dynamic Process ◽  
Quantum Chemical ◽  
Energy Barrier ◽  
Π Interactions ◽  
Temperature Range ◽  
Acid Catalyzed

Acid-catalyzed condensation of resorcinol with 3,5-diisopropoxybenzaldehyde and 3,5-dihydroxybenzaldehyde afforded aryl substituted resorc[4]arenes 1a and 1b, respectively. All 16 hydroxyls in 1b were acetylated providing resorc[4]arene 1c. The conformational behaviour of 1a, 1b and 1c was studied by NMR spectroscopy and quantum chemical calculations. It was found that the stabilization of their conformations is an effect of competing π-π and OH-π interactions, hydrogen bonding and steric features, respectively. As a result, C2 symmetrical boat conformations 1a, 1b and 1c with aryls in axial positions were identified in all cases. In case of 1c also the formation of C2 symmetrical conformation with aryls in equatorial positions (boat-eq) was identified. Moreover, compounds 1a and 1b being able to create hydrogen bonds, adopt also symmetrical C4 crown conformations. For 1c(boat-ax), the boat-boat conversion with energy barrier of 80 kJ/mol was observed, while the 1c(boat-eq) was found to be rigid in the whole accessible temperature range. Both conformers of 1c exhibit also second dynamic process – rotation of bridge aryl rings (ΔG‡ = 66 kJ/mol).

scholarly journals Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate

2017 ◽  
Vol 73 (3) ◽  
pp. 361-364 ◽  
Author(s):  
Marimuthu Mohana ◽  
Packianathan Thomas Muthiah ◽  
Colin D. McMillen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Sheet Structure ◽  
Bonding Patterns

In the crystal structure of the title compound, 5-fluorocytosinium picrate, C4H5FN3O+·C6H2N3O7−, one N heteroatom of the 5-fluorocytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA−) anion. In the crystal, the 5FC+cation interacts with the PA−anion through three-centre N—H...O hydrogen bonds, forming two conjoined rings havingR21(6) andR12(6) motifs, and is extended by N—H...O hydrogen bonds and C—H...O interactions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F...π interactions.

scholarly journals Crystal structure of 4-{[(naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid

2015 ◽  
Vol 71 (3) ◽  
pp. o145-o145 ◽  
Author(s):  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Asif Hussain ◽  
Muhammad Ashfaq ◽  
Muhammad Nadeem Sadiq
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Tranexamic Acid ◽  
Title Compound ◽  
Π Interactions ◽  
Carboxylic Acid Groups ◽  
Compound C ◽  
Thick Layers

The title compound, C18H21NO4S, is a new sulfonamide derivative of tranexamic acid. In the crystal, molecules form inversion dimersviaO—H...O hydrogen bonds involving the carboxylic acid groups. Hydrogen bonding between the sulfonamide N—H group and the carboxylic acid O atom assembles the dimers into thick layers parallel to (100). The naphthalene groups of adjacent layers are arranged in a herring-bone motif. There are C—H...π interactions between the naphthalene rings of neighbouring layers.

scholarly journals Crystal structures of 2-[3,5-bis(bromomethyl)-2,4,6-triethylbenzyl]isoindoline-1,3-dione and 2-{5-(bromomethyl)-3-[(1,3-dioxoisoindolin-2-yl)methyl]-2,4,6-triethylbenzyl}isoindoline-1,3-dione

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Manuel Stapf ◽  
Betty Leibiger ◽  
Anke Schwarzer ◽  
Monika Mazik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Molecular Conformation ◽  
Halogen Bond ◽  
Asymmetric Unit ◽  
Space Group ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions

The title compounds, C23H25Br2NO2 (1) and C31H29BrN2O4 (2), crystallize in the space group P21/n with two (1-A and 1-B) and one molecules, respectively, in the asymmetric unit of the cell. The molecular conformation of these compounds is stabilized by intramolecular C—H...O hydrogen bonds and C—H...N or C—H...π interactions. The crystal structure of 1 features a relatively strong Br...O=C halogen bond, which is not observed in the case of 2. Both crystal structures are characterized by the presence of C—H...Br hydrogen bonds and numerous intermolecular C—H...O hydrogen-bonding interactions.

Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H...π interactions

2019 ◽  
Vol 75 (2) ◽  
pp. 189-195 ◽  
Author(s):  
Maria Annunziata M. Capozzi ◽  
Giancarlo Terraneo ◽  
Cosimo Cardellicchio
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Methoxy Group ◽  
Crystal Packing ◽  
Molecular Surface ◽  
Methyl Group ◽  
Π Interactions ◽  
Substituted 1 ◽  
Structural Insights

Aminobenzylnaphthols are a class of compounds containing a large aromatic molecular surface which makes them suitable candidates to study the role of C—H...π interactions. We have investigated the effect of methyl or methoxy substituents on the assembling of aromatic units by preparing and determining the crystal structures of (S,S)-1-{(4-methylphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol, C26H25NO, and (S,S)-1-{(4-methoxyphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol, C26H25NO2. The methyl group influenced the overall crystal packing even if the H atoms of the methyl group did not participate directly either in hydrogen bonding or C—H...π interactions. The introduction of the methoxy moiety caused the formation of new hydrogen bonds, in which the O atom of the methoxy group was directly involved. Moreover, the methoxy group promoted the formation of an interesting C—H...π interaction which altered the orientation of an aromatic unit.

Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides

2015 ◽  
Vol 17 (31) ◽  
pp. 20361-20367 ◽  
Author(s):  
Haiyan Zhu ◽  
Bolong Huang ◽  
Jianfu Li ◽  
Zhenyi Jiang ◽  
Bo Wang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Hydrogen Molecule ◽  
Alkali Halides ◽  
Type Complex ◽  
New Type

Conventional hydrogen bonding (HB) systems are known to be X–H⋯Y type complex, with the X and Y being strongly electronegative atoms such as O, N and halides. In this work, we devise a new type of HB depicted as H–H⋯Y–M, with MY being alkali halides.

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