scholarly journals Crystal structure of 4-(anthracen-9-yl)pyridine

2021 ◽  
Vol 77 (6) ◽  
pp. 605-608
Author(s):  
Meng Zhao ◽  
Gang Zhang ◽  
Jingmiao Zhang ◽  
Shan Huang ◽  
Xiuxia Liu ◽  
...  
Keyword(s):  
Linear Chain ◽  
Coupling Reaction ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Face To Face ◽  
Light Yellow ◽  
Compound C ◽  
Cross Coupling Reaction ◽  
Centrosymmetric Dimers

The title compound, C19H13N, which crystallizes in the monoclinic C2/c space group with one half-molecule in the asymmetric unit, was synthesized by Suzuki–Miyaura cross-coupling reaction of 9-bromoanthracene with pyridin-4-ylboronic acid and purified by column chromatography on silica gel. Light-yellow crystals of 4-(anthracen-9-yl)-pyridine suitable for X-ray diffraction were collected by the solvent evaporation method. In the crystal, pairs of molecules are connected by intermolecular C—H...π (pyridine) interactions [d(H7...Cg) = 2.7391 (2) Å], forming cyclic centrosymmetric dimers, further resulting in an infinite one-dimensional linear chain along the c-axis direction. Weak face-to-face π–π stacking interactions [d(Cg...Cg) = 3.6061 (2) Å] link neighboring lamellar networks into the supramolecular structure.

scholarly journals Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane

2019 ◽  
Vol 75 (12) ◽  
pp. 1844-1847
Author(s):  
Young Min Byun ◽  
Farwa Ume ◽  
Ji Yeon Ryu ◽  
Junseong Lee ◽  
Hyoung-Ryun Park
Keyword(s):  
Title Compound ◽  
Methoxy Group ◽  
Coupling Reaction ◽  
Major Product ◽  
Molar Ratio ◽  
Dihedral Angles ◽  
X Ray ◽  
Compound C ◽  
Crystallographic Study ◽  
Centrosymmetric Dimers

The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butylene group that connects two identical phenyl tetrazole moieties. The butylene group is attached not to the first but the second nitrogen atoms of both tetrazole rings. The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the molecules form centrosymmetric dimers through C—H...O hydrogen bonds between a C—H group of the butylene linker and the O atom of a methoxy group.

TOWARD EFFICIENT ELECTRON-TRANSPORTING AND BLUE-EMITTING MATERIALS FOR ORGANIC LIGHT-EMITTING DIODES: STRUCTURE AND PHOTOLUMINESCENT PROPERTIES OF SILOLE DERIVATIVES

2005 ◽  
Vol 14 (04) ◽  
pp. 487-495 ◽  
Author(s):  
YOUNGJIN KANG ◽  
JUNGCHEOL PARK ◽  
JUN HEO ◽  
KI-MIN PARK ◽  
JUN-HWAN AHN ◽  
...  
Keyword(s):  
Reduction Potential ◽  
Energy Levels ◽  
Coupling Reaction ◽  
Organic Light Emitting Diodes ◽  
X Ray Diffraction ◽  
Light Emitting ◽  
X Ray ◽  
Cyclic Voltametry ◽  
Organic Light ◽  
Cross Coupling Reaction

The potential blue-emitting as well as electron-transporting materials, 2,5-bis(3,5-trifluoromethylphenyl)-1,1-dimethyl-3,4-diphenylsilole (silole = silacyclopentadiene) (1) and 2,5-bis(3,5-trifluoromethylphenyl)-1,1-diphenyl-3,4-diphenylsilole (2), were synthesized by the Pd-mediated cross coupling reaction of corresponding bis(pheny-lethynyl)silanes with 1-bromo-3,5-trifluoromethylbenzene via intramolecular reductive cyclization. The structure of 2 was established by single-crystal X-ray diffraction analysis. In crystal structure, the dihedral angle between the functionalized phenyl groups containing CF3 at 2,5-position and central silole ring is about 48.70(6)°, showing the diminution of effective conjugation. These compounds exhibited high thermal stability without degradation up to 200°C. The absorption and photoluminescent properties, and cyclic voltametry have been evaluated. Compounds 1 and 2 in thin films showed intense blue emissions at 464–473 nm, respectively, in photoluminescence (PL). In electrochemistry, the reduction potential of 1 and 2 were at -1.92 and -1.81 V, respectively. The presence of substituents at 2,5′ — and/or 1,1′ — positions of siloe ring affected the LUMO energy levels through σ*–π* conjugation.

A cyanide-bridged FeIII–MnII heterobimetallic one-dimensional coordination polymer: synthesis, crystal structure, experimental and theoretical magnetism investigation

2019 ◽  
Vol 75 (11) ◽  
pp. 1475-1481 ◽  
Author(s):  
Wenlong Lan ◽  
Zhen Zhou ◽  
Jie Li ◽  
Yong Dou ◽  
Xiaoyun Hao ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Density Functional ◽  
Linear Chain ◽  
Coupling Constants ◽  
Antiferromagnetic Coupling ◽  
Chain Model ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

A new cyanide-bridged FeIII–MnII heterobimetallic coordination polymer (CP), namely catena-poly[[[N,N′-(1,2-phenylene)bis(pyridine-2-carboxamidato)-κ4 N,N′,N′′,N′′′]iron(III)]-μ-cyanido-κ2 C:N-[bis(4,4′-bipyridine-κN)bis(methanol-κO)manganese(II)]-μ-cyanido-κ2 N:C], {[FeMn(C18H12N4O2)(CN)2(C10H8N2)2(CH3OH)2]ClO4} n , (1), was prepared by the self-assembly of the trans-dicyanidoiron(III)-containing building block [Fe(bpb)(CN)2]− [bpb2− = N,N′-(1,2-phenylene)bis(pyridine-2-carboxamidate)], [Mn(ClO4)2]·6H2O and 4,4′-bipyridine, and was structurally characterized by elemental analysis, IR spectroscopy, single-crystal X-ray crystallography and powder X-ray diffraction (PXRD). Single-crystal X-ray diffraction analysis shows that CP 1 possesses a cationic linear chain structure consisting of alternating cyanide-bridged Fe–Mn units, with free perchlorate as the charge-balancing anion, which can be further extended into a two-dimensional supramolecular sheet structure via inter-chain π–π interactions between the 4,4′-bipyridine ligands. Within the chain, each MnII ion is six-coordinated by an N6 unit and is involved in a slightly distorted octahedral coordination geometry. Investigation of the magnetic properties of 1 reveals an antiferromagnetic coupling between the cyanide-bridged FeIII and MnII ions. A best fit of the magnetic susceptibility based on the one-dimensional alternating chain model leads to the magnetic coupling constants J 1 = −1.35 and J 2 = −1.05 cm−1, and the antiferromagnetic coupling was further confirmed by spin Hamiltonian-based density functional theoretical (DFT) calculations.

scholarly journals Synthesis and Study of Chemical, Thermal, Mesomorphic, and Optical Properties of Terphenyls Modified with Nitrile Groups

2017 ◽  
Vol 2017 ◽  
pp. 1-9 ◽  
Author(s):  
M. L. Mota González ◽  
A. Carrillo Castillo ◽  
R. C. Ambrosio Lázaro ◽  
J. Flores Méndez ◽  
Mario Moreno ◽  
...  
Keyword(s):  
Optical Properties ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Photoluminescence Properties ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
X Ray ◽  
H Nmr ◽  
Cross Coupling Reaction ◽  
Vis Spectroscopy

We report the synthesis, characterization, and the thermotropic and photoluminescence properties of dialkoxyterphenyls with (T12-CN and T12-2CN) and without (T12) nitrile groups. These terphenyls were prepared through the Suzuki-Miyaura cross-coupling reaction using a palladium-based catalyst. The products obtained were analyzed as powders or after being drop-casted or spin-coated on glass. Nuclear Magnetic Resonance (1H NMR) and Fourier Transform Infrared (FTIR) spectroscopy techniques confirmed the structure and purity of the synthesized terphenyls. The mesomorphic behavior was studied by differential scanning calorimetry (DSC), polarizing optical microscopy (POM), and X-ray diffraction (XRD). T12 developed various mesophases, whereas T12-CN and T12-2CN displayed one single mesophase of low order over a wide temperature range. The films topology was studied by AFM and the optical properties were determined by ultraviolet-visible (UV-Vis) spectroscopy and spectrofluorometry. Higher roughness was found for the films prepared with the asymmetric terphenyl (T12-CN). The photoluminescence (PL) spectrum obtained for the asymmetric terphenyl (T12-CN) exhibited the expected characteristics with an emission band centered at 381 nm and an overtone around 760 nm.

scholarly journals Synthesis and characterization of the cyanobenzene-ethylenedithio-TTF donor

2015 ◽  
Vol 11 ◽  
pp. 951-956 ◽  
Author(s):  
Sandrina Oliveira ◽  
Dulce Belo ◽  
Isabel Cordeiro Santos ◽  
Sandra Rabaça ◽  
Manuel Almeida
Keyword(s):  
Coupling Reaction ◽  
Cross Coupling ◽  
Triethyl Phosphite ◽  
High Yield ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cross Coupling Reaction ◽  
Uv Visible

A dissymmetric TTF-type electron donor, cyanobenzene-ethylenedithio-tetrathiafulvalene (CNB-EDT-TTF), was obtained in high yield, by a cross-coupling reaction with triethyl phosphite between 2-thioxobenzo[d][1,3]dithiole-5-carbonitrile and 5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-one. This new donor was characterized namely by single crystal X-ray diffraction, cyclic voltammetry, NMR, UV-visible and IR spectroscopy.

scholarly journals New Quasi-One-Dimensional Organic-Inorganic Hybrid Material: 1,3-Bis(4-piperidinium)propane Pentachlorobismuthate(III) Synthesis, Crystal Structure, and Spectroscopic Studies

2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Hela Ferjani ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Spectroscopic Studies ◽  
X Ray Diffraction ◽  
Hybrid Compound ◽  
Inorganic Hybrid ◽  
One Dimensional ◽  
X Ray ◽  
Compound C ◽  
Semiempirical Parameter ◽  
Inorganic Layers

The organic-inorganic hybrid compound (C13H28N2) BiCl5 was synthesized by solvothermal method. The crystal structure was solved by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic system space group Cmc21 with a=15.826(4) Å, b=18.746(6) Å, c=7.470(3) Å, and Z=4. The crystal structure was refined down to R=0.019. It consists of corrugated layers of [BiCl5]2− chains, separated by organic [H2TMDP]2+ cations (TMDP=1,3-Bis(4-piperidyl)propane = C13H26N2). The crystal cohesion is achieved by hydrogen bonds N–H⋯Cl joining the organic and inorganic layers. The influence of the organic cations' flexibility is discussed. Raman and infrared spectra of the title compound were recorded in the range of 50–400 and 400–4000 cm−1, respectively. Semiempirical parameter model three (PM3) method has been performed to derive the calculated IR spectrum. The crystal shape morphology was simulated using the Bravais-Friedel and Donnay-Harker model.

A New One-Dimensional Coordination Polymer [Co(CCl3COO)2(CH3OH)2(μ-4,4’-bipy)]n: Synthesis and Structural Aspects

2005 ◽  
Vol 60 (1) ◽  
pp. 33-36 ◽  
Author(s):  
Pritha Talukder ◽  
Amitabha Datta ◽  
Samiran Mitra ◽  
Georgina Rosair
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Coordination Polymer ◽  
Linear Chain ◽  
Membered Ring ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Intramolecular Hydrogen ◽  
Structural Aspects

A new one-dimensional coordination polymer [Co(CCl3COO)2(CH3OH)2(μ-4,4’-bipy)]n (1), has been synthesised and its crystal structure determined by single-crystal X-ray diffraction. The structure consists of a one-dimensional linear chain of cobalt(II) centres linked by bridging 4,4’-bipyridine units. The Co(II) ion lies at an inversion centre forming an elongated octahedral coordination sphere. There is an intramolecular hydrogen bond [2.02(5) Å ] between a trichloroacetate oxygen and a methanolic hydrogen forming a planar six-membered ring.

One-Pot Synthesis of a Cyclic Pyrene Octamer from Two Bifunctionalized Pyrene Monomers

Synthesis ◽  
2020 ◽  
Vol 53 (02) ◽  
pp. 344-347
Author(s):  
Hiroko Yamada ◽  
Naoki Aratani ◽  
Peifeng Mei ◽  
Ryo Kurosaki ◽  
Akinobu Matsumoto
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
X Ray Diffraction ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Cross Coupling Reaction

AbstractA 2,2′-tert-butyl-5,9-6′,8′-cyclooctameric pyrenylene ([8]CP) was synthesized by a one-pot Suzuki–Miyaura cross-coupling reaction from two kinds of bifunctionalized monomers, as a rare example of a cyclic octamer. The octameric molecular structure of [8]CP was revealed by single-crystal X-ray diffraction analysis.

Fractionation of polymethylene chains: An electron crystallographic investigation

1986 ◽  
Vol 44 ◽  
pp. 794-795
Author(s):  
Douglas L. Dorset
Keyword(s):  
Cross Section ◽  
Binary Systems ◽  
Linear Chain ◽  
Pure Component ◽  
Organic Substrates ◽  
Crystallographic Investigation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Molecular Sizes ◽  
The Stability

A variety of linear chain materials exist as polydisperse systems which are difficultly purified. The stability of continuous binary solid solutions assume that the Gibbs free energy of the solution is lower than that of either crystal component, a condition which includes such factors as relative molecular sizes and shapes and perhaps the symmetry of the pure component crystal structures.Although extensive studies of n-alkane miscibility have been carried out via powder X-ray diffraction of bulk samples we have begun to examine binary systems as single crystals, taking advantage of the well-known enhanced scattering cross section of matter for electrons and also the favorable projection of a paraffin crystal structure posited by epitaxial crystallization of such samples on organic substrates such as benzoic acid.

Ferromagnetic Chain Based on Verdazyl-Nitroxide Diradical

2020 ◽  
Author(s):  
Evgeny Tretyakov ◽  
Svetlana Zhivetyeva ◽  
Pavel Petunin ◽  
Dmitry Gorbunov ◽  
Nina Gritsan ◽  
...  
Keyword(s):  
Coupling Reaction ◽  
Cross Coupling ◽  
Ferromagnetic Coupling ◽  
Nitronyl Nitroxide ◽  
Triplet Ground State ◽  
One Dimensional ◽  
Cross Coupling Reaction ◽  
Palladium Catalyzed ◽  
Ferromagnetic Chain ◽  
High Yields

<p>Verdazyl-nitroxide diradicals were synthesized using the palladium-catalyzed cross-coupling reaction of the corresponding iodoverdazyls with a nitronyl nitroxide-2-ide gold(I) complex with high yields (up to 82%). The synthesized diradicals were found to be highly thermally stable and have a singlet (D<i>E</i><sub>ST</sub> » -64 cm<sup>–1</sup>) or triplet ground state (D<i>E</i><sub>ST</sub> ³ 25 and 100 cm<sup>–1</sup>), depending on which canonical hydrocarbon diradical type they belong to. Upon crystallization, triplet diradicals form unique one-dimensional (1D) spin <i>S</i> = 1 chains of organic diradicals with intrachain ferromagnetic coupling of <i>J</i>′/<i>k</i><sub>B</sub> from 3 to 6 K.</p>

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