4,4'-Bipyridine-2,2',6,6'-tetracarboxamide. Synthesis and Self-Assembling Properties of the Free Base and the 1 : 1 Silver(I) Triflate Complex

2002 ◽  
Vol 67 (8) ◽  
pp. 1236-1246 ◽  
Author(s):  
Petr Sehnal ◽  
Petr Holý ◽  
Miloš Tichý ◽  
Jiří Závada ◽  
Ivana Císařová
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Self Assembly ◽  
Crystal Packing ◽  
Amide Hydrogen ◽  
Free Base ◽  
X Ray Diffraction ◽  
X Ray ◽  
Self Assembling

Self-assembly of 4,4'-bipyridine-2,2',6,6'-tetracarboxamide and its 1 : 1 silver(I) triflate complex was investigated by single crystal X-ray diffraction analysis. It was found that intermolecular amide-amide hydrogen bonds control the crystal packing of the free base giving rise to infinite zig-zag tapes, whereas an octahedral coordination of the Ag(I) ion with the ligand dominates in the packing of the corresponding complex.

Self-Assembly of 1,1'-Biphenyl-2,2',6,6'-tetracarboxamides. Effect of Substitution at the Amidic Nitrogen

2001 ◽  
Vol 66 (6) ◽  
pp. 947-958 ◽  
Author(s):  
Petr Holý ◽  
Jaroslav Podlaha ◽  
Ivana Císařová ◽  
Jiří Závada
Keyword(s):  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Self Assembly ◽  
The Other ◽  
Amide Hydrogen ◽  
X Ray Diffraction ◽  
X Ray ◽  
Self Assembling ◽  
Alkyl Substitution ◽  
2D Network

Self-assembly of three 1,1'-biphenyl-2,2',6,6'-tetracarboxamides 2a-2c differing each from the other by substitution at the amidic nitrogens (R = H, ethyl and 1-(R)-phenylethyl, respectively) was investigated by single crystal X-ray diffraction analysis. It was found that the unsubstituted tetracarboxamide 2a gives rise to infinite hydrogen-bonded 2D network composed from chiral cyclotetrameric squares (D4 symmetry). Such self-assembling pattern is suppressed by alkyl substitution in 2b and 2c, which disfavours formation of intermolecular amide-amide hydrogen bonds.

Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals

2015 ◽  
Vol 71 (3) ◽  
pp. 285-292 ◽  
Author(s):  
M. Rajasekar ◽  
K. Muthu ◽  
A. Aditya Prasad ◽  
R. Agilandeshwari ◽  
SP Meenakshisundaram
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Morphological Changes ◽  
Strong Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

Single crystals of molybdenum-incorporated tris(thiourea)zinc(II) sulfate (MoZTS) are grown by the slow evaporation solution growth technique. Crystal composition as determined by single-crystal X-ray diffraction analysis reveals that it belongs to the orthorhombic system with space groupPca21and cell parametersa= 11.153 (2),b= 7.7691 (14),c= 15.408 (3) Å,V= 1335.14 (4) Å3andZ= 4. The surface morphological changes are studied by scanning electron microscopy. The vibrational patterns in FT–IR are used to identify the functional group and TGA/DTA (thermogravimetric analysis/differential thermal analysis) indicates the stability of the material. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis and the simulated X-ray diffraction (XRD) closely matches the experimental one with varied intensity patterns. The band gap energy is estimated using diffuse reflectance data by the application of the Kubelka–Munk algorithm. The relative second harmonic generation (SHG) efficiency measurements reveal that MoZTS has an efficiency comparable to that of tris(thiourea)zinc(II) sulfate (ZTS). Hirshfeld surfaces were derived using single-crystal X-ray diffraction data. Investigation of the intermolecular interactions and crystal packingviaHirshfeld surface analysis reveal that the close contacts are associated with strong interactions. Intermolecular interactions as revealed by the fingerprint plot and close packing could be the possible reasons for facile charge transfer leading to SHG activity.

Synthesis, Structure and Properties of a Novel Metal-Organic Coordination Polymer, [Zn (NH3)2(BDC)]n

2013 ◽  
Vol 575-576 ◽  
pp. 30-36 ◽  
Author(s):  
Ning Ning Wu ◽  
Can Xiong Guo ◽  
Gui An Wu ◽  
Zhao Cai ◽  
Wan Hong He
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Self Assembly ◽  
Terephthalic Acid ◽  
Differential Scanning Calorimetric ◽  
X Ray Diffraction ◽  
X Ray ◽  
Acid Ligand ◽  
Metal Organic

A novel one-dimensional metal-organic coordination polymer, [Zn (NH3)2(BDC)]n (BDC=1,4-benzenedicaboxylate), has been synthesized by solvent evaporation method through self-assembly of Zn (II) salts with terephthalic acid ligand in ammonia aqueous solution. Single crystal X-ray diffraction analysis indicated that each Zn (II) was coordinated by two nitrogen donors from two NH3 and two oxygen counter donors from terephthalic acid ligand. The adjacent zigzag chains are arranged in a parallel fashion and linked by interchain hydrogen bonding interaction and π-π stacking interactions into higher-dimensional framework. The compound has also been characterized by CHN elemental analyses, Single crystal X-ray diffraction analysis, powder X-ray diffraction (PXRD) analysis, Fourier transform infrared (FT-IR) spectra, Thermalgravimetric-differential scanning calorimetric (TG-DSC) and Solid-state nuclear magnetic resonance (NMR), etc. Results showed that the framework of compound was stable at the temperature up to 246°C. The desolvated product [Zn (BDC)]n, which was obtained by removal of molecular NH3 from [Zn (NH3)2(BDC)]n, can be transferred to the different skeleton structures through coordinating different small hydrogen-bond-forming molecules.

Self-Assembling l-d-l-Tripeptides Dance the Twist

Synlett ◽  
2020 ◽  
Vol 31 (05) ◽  
pp. 434-438 ◽  
Author(s):  
Maria C. Cringoli ◽  
Ottavia Bellotto ◽  
Rita De Zorzi ◽  
Attilio V. Vargiu ◽  
Silvia Marchesan
Keyword(s):  
Molecular Dynamics ◽  
Amino Acids ◽  
Single Crystal ◽  
Self Assembly ◽  
Building Blocks ◽  
Supramolecular Structures ◽  
X Ray Diffraction ◽  
Supramolecular Materials ◽  
X Ray ◽  
Self Assembling

Minimalistic peptides composed of d- and l-amino acids are attractive building blocks for functional supramolecular materials, including catalysts. d-Amino acids have long been known to promote turn conformations in peptides, yet unexpected twists continue to emerge on their effects on self-assembly. The combination of single-crystal X-ray diffraction and full-atom molecular dynamics have finally unraveled fine details of how l-d-l-tripeptides visit different conformations in solution and establish key interactions in supramolecular structures.

scholarly journals Synthesis and Structure of Fluorinated (Benzo[d]imidazol-2-yl)methanols: Bench Compounds for Diverse Applications

Crystals ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 786
Author(s):  
Vasily Romanov ◽  
Evgeny Tretyakov ◽  
Galina Selivanova ◽  
Jiayao Li ◽  
Irina Bagryanskaya ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Benzene Ring ◽  
Materials Science ◽  
Crystal Packing ◽  
Structure Property ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Π Interactions

A simple and general approach to the synthesis (from commercial precursors) of eight out of nine possible (benzo[d]imidazol-2-yl)methanols fluorinated on the benzene ring is reported. Molecular and crystalline structures of most compounds were solved by X-ray diffraction analysis. This made it possible to reveal the influence of the number and arrangement of fluorine atoms in the benzene cycle on the formation of intermolecular hydrogen bonds. It was found that the more fluorine atoms are present in a compound, the higher the dimensionality of the H-bonded structure is. Moreover, the presence of fluorine atoms in the synthesized compounds leads to the emergence of C–F…π interactions affecting crystal packing. The synthesized fluorinated (benzo[d]imidazol-2-yl)methanols may serve as excellent bench compounds for the synthesis of a systematic series of fluorine-containing derivatives to study structure–property correlations in various fields of research from medicine to materials science.

Synthesis of Fluorine-Containing Tetraarylanthracenes via Ruthenium-Catalyzed C–O or C–F Arylation and their Crystal Structures

Synlett ◽  
2017 ◽  
Vol 28 (19) ◽  
pp. 2609-2613 ◽  
Author(s):  
Fumitoshi Kakiuchi ◽  
Akiko Izumoto ◽  
Hikaru Kondo ◽  
Takuya Kochi
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Fluorescence Spectra ◽  
Crystal Packing ◽  
Spectroscopic Studies ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
Aromatic Ketones ◽  
X Ray

Tetraarylanthracenes containing several fluoro groups were synthesized using the ruthenium-catalyzed C–O or C–F arylation with arylboronates and their structural and spectroscopic studies were conducted. The RuH2(CO)(PPh3)3-catalyzed C–O arylation of aromatic ketones was found to be effective for the introduction of aryl groups containing multiple fluoro groups. Anthracenes possessing fluorinated aryl groups were prepared in two steps from 1,4,5,8-tetramethoxyanthraquinone by C–O arylation and reduction of the carbonyl groups. A tetraphenylanthracene containing a fluorinated anthracene moiety was also prepared using C–F phenylation of octafluoroanthraquinone. Single-crystal X-ray diffraction analysis showed that the positions of fluoro groups on the tetraarylanthracenes lead to notable difference in the crystal packing structures. The larger difference between the tetraarylanthracenes was observed in the fluorescence spectra in the solid state than those in chloroform.

Crystal structures of (S)- and (R,S)-2,2′-bipyridine-3,3′-dicarboxylic acid 1,1′-dioxides and of their barium salts: absolute configuration and molecular distortion enforced by supramolecular self-assembly

1997 ◽  
Vol 212 (3) ◽  
Author(s):  
P. Vojtíšek ◽  
I. Císařová ◽  
J. Podlaha ◽  
Z. Žák ◽  
S. Böhm ◽  
...  
Keyword(s):  
Single Crystal ◽  
Dicarboxylic Acid ◽  
Crystal Structures ◽  
Absolute Configuration ◽  
Self Assembly ◽  
Barium Salt ◽  
X Ray Diffraction ◽  
X Ray

AbstractCrystal structures of the title compounds were determined by single crystal X-ray diffraction. Absolute configuration of the barium salt of (+)-(

Synthesis of 4-(3-coumarinyl)-3-benzyl-4-thiazolin-2-one 4-methylbenzylidenehydrazone and determination of the isomeric structure by X-ray analysis

2003 ◽  
Vol 218 (12) ◽  
Author(s):  
Süheyla Özbey ◽  
Nilgün Karalı ◽  
Aysel Gürsoy
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Spectral Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Isomeric Structure ◽  
Elemental Analyses

AbstractIn this study 4-(3-coumarinyl)-3-benzyl-4-thi azolin-2-one 4-methylbenzylidenehydrazone 3 was synthesised. An independent proof of the thiazolylhydrazone structure of 3 was achieved by single crystal X-ray diffraction analysis. Elemental analyses and spectral data (IR,

Single-crystal X-ray diffraction analysis of nonplanar autoepitaxial silicon layers

2009 ◽  
Vol 45 (14) ◽  
pp. 1610-1613
Author(s):  
V. T. Bublik ◽  
L. V. Kozhitov ◽  
T. T. Kondratenko
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
X Ray
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