Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)

2012 ◽  
Vol 68 (10) ◽  
pp. o383-o386 ◽  
Author(s):  
Alvaro S. de Sousa ◽  
Denzel Sannasy ◽  
Manuel A. Fernandes ◽  
Helder M. Marques
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Self Assembly ◽  
Amino Alcohol ◽  
Inner Core ◽  
Molecular Conformation ◽  
Tubular Structure ◽  
Macrocyclic Ring ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title macrocyclic amino alcohol compound, C14H30N4O, is investigated as a solid-state synthon for the design of a self-assembled tubular structure. It crystallizes in a helical column constructed by stereospecific O—H...N and N—H...N interactions. The hydrogen-bonding interactions, dependent upon macrocyclic ring helicity and molecular conformation, linkR,RandS,Senantiomers in a head-to-tail fashion, forming a continuous hydrophilic inner core.

scholarly journals {N 1-[2-(Butylselanyl)benzyl]-N 2,N 2-dimethylethane-1,2-diamine}dichloridomercury(II)

2018 ◽  
Vol 74 (8) ◽  
pp. 1151-1154
Author(s):  
Pushpendra Singh ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Self Assembly ◽  
Title Compound ◽  
Supramolecular Assembly ◽  
Molecular Geometry ◽  
The Self ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Donor Acceptor

In the title compound, [HgCl2(C16H28N2Se)], the primary geometry around the Se and Hg atoms is distorted trigonal–pyramidal and distorted square-pyramidal, respectively. The distortion of the molecular geometry in the complex is caused by the steric demands of the ligands attached to the Se atom. The Hg atom is coordinated through two chloride anions, an N atom and an Se atom, making up an unusual HgNSeCl2 coordination sphere with an additional long Hg...N interaction. Intermolecular C—H...Cl interactions are the only identified intermolecular hydrogen-bonding interactions that seem to be responsible for the self assembly. These relatively weak C—H...Cl hydrogen bonds possess the required linearity and donor–acceptor distances. They act as molecular associative forces that result in a supramolecular assembly along the b-axis direction in the solid state of the title compound.

Methyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2006 ◽  
Vol 62 (4) ◽  
pp. o1431-o1432 ◽  
Author(s):  
Bing-Jian Yang ◽  
Jian-Jun Li ◽  
Zhen-Hua Li ◽  
Ping Li ◽  
Wei-Ke Su
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Title Compound ◽  
Two Dimensional ◽  
State Structure ◽  
Solid State Structure ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The solid-state structure of the title compound, C14H16N2O4, is characterized by hydrogen-bonding interactions, linking the molecules into chains. Hydrogen-bonding interactions between neighbouring chains form a two-dimensional network.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

Correlation of the solid-state reactivities of racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate and its 4,4′-bipyridine cocrystal with their crystal structures

2014 ◽  
Vol 70 (11) ◽  
pp. 1040-1045 ◽  
Author(s):  
Majid I. Tamboli ◽  
Vir Bahadur ◽  
Rajesh G. Gonnade ◽  
Mysore S. Shashidhar
Keyword(s):  
Solid State ◽  
Self Assembly ◽  
Transfer Reaction ◽  
Acyl Transfer ◽  
Transfer Reactions ◽  
Group Transfer ◽  
Hydrogen Bonding Interactions ◽  
Benzoyl Group ◽  
The Stability ◽  
Group Migration

Racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate, C21H18O8,(1), shows a very efficient intermolecular benzoyl-group migration reaction in its crystals. However, the presence of 4,4′-bipyridine molecules in its cocrystal, C21H18O8·C10H8N2,(1)·BP, inhibits the intermolecular benzoyl-group transfer reaction. In(1), molecules are assembled around the crystallographic twofold screw axis (baxis) to form a helical self-assembly through conventional O—H...O hydrogen-bonding interactions. This helical association places the reactive C6-O-benzoyl group (electrophile, El) and the C4-hydroxy group (nucleophile, Nu) in proximity, with a preorganized El...Nu geometry favourable for the acyl transfer reaction. In the cocrystal(1)·BP, the dibenzoate and bipyridine molecules are arranged alternately through O—H...N interactions. The presence of the bipyridine molecules perturbs the regular helical assembly of the dibenzoate molecules and thus restricts the solid-state reactivity. Hence, unlike the parent dibenzoate crystals, the cocrystals do not exhibit benzoyl-transfer reactions. This approach is useful for increasing the stability of small molecules in the crystalline state and could find application in the design of functional solids.

scholarly journals 1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid

2009 ◽  
Vol 65 (6) ◽  
pp. o1429-o1429
Author(s):  
Zhen-Dong Zhao ◽  
Yu-Xiang Chen ◽  
Yu-Min Wang ◽  
Liang-Wu Bi
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Slash Pine ◽  
Carboxyl Groups ◽  
Isopimaric Acid ◽  
Hydrogen Bonding Interactions ◽  
Cyclohexene Ring

The title compound, also known as isopimaric acid, C20H30O2, was isolated from slash pine rosin. There are two unique molecules in the unit cell. The two cyclohexane rings have classical chair conformations. The cyclohexene ring represents a semi-chair. The molecular conformation is stabilized by weak intramolecular C—H...O hydrogen-bonding interactions. The molecules are dimerized through their carboxyl groups by O—H...O hydrogen bonds, formingR22(8) rings.

scholarly journals Recent Progress in Hydrogen-Bonded π-Conjugated Systems Displaying J-Type Aggregates

2020 ◽  
Vol 02 (01) ◽  
pp. 047-063 ◽  
Author(s):  
Nelson Ricardo Ávila-Rovelo ◽  
Amparo Ruiz-Carretero
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
Noncovalent Interactions ◽  
Functional Materials ◽  
Organic Electronic Devices ◽  
Conjugated Systems ◽  
Hydrogen Bonding Interactions ◽  
Different Types ◽  
J Aggregates ◽  
Additional Hydrogen

Supramolecular approaches are of great interest in the design of functional materials. The types of aggregates arising from different noncovalent interactions endow materials with intriguing properties. In this sense, J-type aggregates are very attractive due to their unique optical properties and capacity to transport excitons. These features make them great candidates in the design of materials for organic electronic devices. Furthermore, the incorporation of additional hydrogen-bonding functionalities provides J-aggregates with superior directionality and connection among the different π-conjugated cores. The control over the formation of H-bonds to achieve functional aggregates is therefore a promising strategy towards controlled structures with specific functions.This review outlines the most relevant and recent works of π-conjugated systems exhibiting J-type aggregates resulting from hydrogen-bonding interactions. Different types of hydrogen-bonding functionalities will be discussed together with their roles in the aggregate properties, their impact in the optoelectronic properties, the self-assembly mechanisms, and their applications in organic electronics.

The mechanochemical conversion of potassium coordination polymer nanostructures to interpenetrated sodium coordination polymers with halogen bond, metal–carbon and metal–metal interactions

CrystEngComm ◽  
2020 ◽  
Vol 22 (5) ◽  
pp. 888-894 ◽  
Author(s):  
Ashkan Kianimehr ◽  
Kamran Akhbari ◽  
Jonathan White ◽  
Anukorn Phuruangrat
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Coordination Polymer ◽  
Coordination Polymers ◽  
Halogen Bond ◽  
Metal Interactions ◽  
Polymer Nanostructures ◽  
Hydrogen Bonding Interactions ◽  
Metal Metal

Two new Na and K coordination polymers with halogen bond, metallophilic and hydrogen bonding interactions were synthesized. These two compounds were synthesized sonochemically and solid-state conversions of them to each other were investigated.

scholarly journals Intermolecular Non-Covalent Carbon-Bonding Interactions with Methyl Groups: A CSD, PDB and DFT Study

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3370 ◽  
Author(s):  
Tiddo J. Mooibroek
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Interaction Energy ◽  
Weak Interaction ◽  
Systematic Evaluation ◽  
Methyl Groups ◽  
Interaction Energies ◽  
Hydrogen Bonding Interactions ◽  
Carbon Bonding

A systematic evaluation of the CSD and the PDB in conjunction with DFT calculations reveal that non-covalent Carbon-bonding interactions with X–CH3 can be weakly directional in the solid state (P ≤ 1.5) when X = N or O. This is comparable to very weak CH hydrogen bonding interactions and is in line with the weak interaction energies calculated (≤ –1.5 kcal·mol−1) of typical charge neutral adducts such as [Me3N-CH3···OH2] (2a). The interaction energy is enhanced to ≤–5 kcal·mol−1 when X is more electron withdrawing such as in [O2N-CH3··O=Cdme] (20b) and to ≤18 kcal·mol−1 in cationic species like [Me3O+-CH3···OH2]+ (8a).

scholarly journals Hydrogen-Bonding Interactions in T-2 Toxin Studied Using Solution and Solid-State NMR

Toxins ◽  
2011 ◽  
Vol 3 (10) ◽  
pp. 1310-1331 ◽  
Author(s):  
Praveen Chaudhary ◽  
Roxanne A. Shank ◽  
Tony Montina ◽  
James T. Goettel ◽  
Nora A. Foroud ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Solid State Nmr ◽  
Hydrogen Bonding Interactions

Hydrogen bonding interactions affect the hierarchical self-assembly and secondary structures of comb-like polypeptide supramolecular complexes displaying photoresponsive behavior

RSC Advances ◽  
2016 ◽  
Vol 6 (56) ◽  
pp. 51456-51469 ◽  
Author(s):  
Mohamed Gamal Mohamed ◽  
Jia-Huei Tu ◽  
Shih-Hung Huang ◽  
Yeo-Wan Chiang ◽  
Shiao-Wei Kuo
Keyword(s):  
Hydrogen Bonding ◽  
Long Range ◽  
Self Assembly ◽  
Secondary Structures ◽  
Supramolecular Complex ◽  
Supramolecular Complexes ◽  
Hydrogen Bonding Interactions ◽  
Lamellae Structure

Hierarchical lamellae-within-lamellae structure for the PTyr/AzoPy-C16 supramolecular complex, featuring long-range-ordered lamellae arising from the PTyr within lamellae arising from AzoPy-C16 units oriented in a perpendicular manner.

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