Synthesis, crystal structure and activity evaluation of novel 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives as protein–tyrosine kinase (PTK) inhibitors

2017 ◽  
Vol 73 (11) ◽  
pp. 1003-1009 ◽  
Author(s):  
Ning Li ◽  
Binrong Yao ◽  
Chunhua Wang ◽  
Qingguo Meng ◽  
Guige Hou
Keyword(s):  
Crystal Structure ◽  
Tyrosine Kinases ◽  
Protein Tyrosine Kinase ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
X Ray Diffraction ◽  
Protein Tyrosine ◽  
Dimensional Network ◽  
Ft Ir ◽  
Structure And Activity

Four new 3,4-dihydro-1-benzoxepin-5(2H)-one derivatives, namely (E)-4-(5-bromo-2-hydroxybenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (7), (E)-4-[(E)-3-(5-bromo-2-hydroxyphenyl)allylidene]-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (8), (E)-4-(5-bromo-2-hydroxybenzylidene)-6-hydroxy-8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C18H15BrO5, (9), and (E)-4-[(E)-3-(5-bromo-2-hydroxyphenyl)allylidene]-6-hydroxy-8-methoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, (10), have been synthesized and characterized by FT–IR, NMR and MS. The structure of (9) was confirmed by single-crystal X-ray diffraction. Crystal structure analysis shows that molecules of (9) are connected into a one-dimensional chain in the [010] direction through classical hydrogen bonds and these chains are further extended into a three-dimensional network via C—H...O interactions. The inhibitory activities of these compounds against protein–tyrosine kinases (PTKs) show that 6-hydroxy-substituted compounds (9) and (10) are more effective for inhibiting ErbB1 and ErbB2 than are 6-methoxy-substituted compounds (7) and (8). This may be because (9) and (10) could effectively bind to the active pockets of the protein through intermolecular interactions.

The guanidinium t-diaqua-bis(oxalato)chromate(III) dihydrate complex: synthesis, crystal structure, EPR spectroscopy and magnetic properties

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Idelle Nono Kamga ◽  
Augustin Nkwento Nana ◽  
Bridget Ndoye Ndosiri ◽  
Frédéric Capet ◽  
Michel Foulon ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Paramagnetic Resonance ◽  
Dimensional Network ◽  
Ft Ir ◽  
Water Ligands ◽  
Electron Paramagnetic ◽  
Oxygen Atoms

Abstract A new salt (CH6N3)[t-Cr(C2O4)2(H2O)2]·2H2O (1) (CH6N3 + = guanidinium cation) has been synthesized and characterized by single-crystal X-ray diffraction, FT-IR and UV–Vis spectroscopies, elemental and thermogravimetric analyses. In the crystal structure of 1, the chromate(III) ion lies on an inversion center in the form of an elongated octahedron. The coordination sphere consists of four oxygen atoms of two chelating oxalato ligands in the equatorial plane and two axial oxygen atoms of water ligands. The structural feature of focal interest in the structure of 1 is the formation of pillars of [Cr(C2O4)2(H2O)2]− complex anions and CH6N3 + guanidinium cations, with the next-neighbor cations rotated by an angle of 60° relative to each other. O–H···O and N–H···O hydrogen bonds play an important role in the construction of the three-dimensional network. The electron paramagnetic resonance (EPR) and magnetic properties of 1 have also been investigated.

Crystal and Molecular Structure of 3-Iodo-2-propynyl-N-butylcarbamate

1997 ◽  
Vol 52 (2) ◽  
pp. 256-258 ◽  
Author(s):  
Evgeni V. Avtomonov ◽  
Rainer Grüning ◽  
Jörg Lorberth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Carbamate Group ◽  
Oxygen Atoms

Abstract The crystal structure of the title compound has been determined by X-ray diffraction methods. Due to the Lewis acidic character of the iodine substituent a “zig-zag” chain is formed via intermolecular interactions (2.933(4) A) between iodine and oxygen atoms of theocarbamate moiety. A three-dimensional network is formed through hydrogen-bridging (2.04 A) between NH-groups and the oxygen atoms of the neighbouring carbamate group of the next molecule.

A fourfold interpenetrating diamond-like three-dimensional zinc(II) coordination polymer: synthesis, crystal structure and physical properties

2019 ◽  
Vol 75 (5) ◽  
pp. 504-507 ◽  
Author(s):  
Hui-Ru Chen
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Three Dimensional ◽  
Fluorescence Emission ◽  
Crystal Structure Analysis ◽  
The Novel ◽  
X Ray Diffraction ◽  
Metal Compounds ◽  
X Ray ◽  
Coordination Framework

Excellent fluorescence properties are exhibited by d 10 metal compounds. The novel three-dimensional ZnII coordination framework, poly[[{μ2-bis[4-(2-methyl-1H-imidazol-1-yl)phenyl] ether-κ2 N 3:N 3′}(μ2-furan-2,5-dicarboxylato-κ2 O 2:O 5)zinc(II)] 1.76-hydrate], {[Zn(C6H2O5)(C20H18N4O)]·1.76H2O} n , has been prepared and characterized using IR spectroscopy, elemental analysis and single-crystal X-ray diffraction. The crystal structure analysis revealed that the compound exhibits a novel fourfold interpenetrating diamond-like network. This polymer also displays a strong fluorescence emission in the solid state at room temperature.

Two novel organic–inorganic hybrid materials from tetrachloridometallate(II) salts and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium

2015 ◽  
Vol 71 (1) ◽  
pp. 48-52 ◽  
Author(s):  
José J. Campos-Gaxiola ◽  
Susana P. Arredondo Rea ◽  
Ramón Corral Higuera ◽  
Herbert Höpfl ◽  
Adriana Cruz Enríquez
Keyword(s):  
Three Dimensional ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Pyridinium Cation ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Two organic–inorganic hybrid compounds have been prepared by the combination of the 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium cation with perhalometallate anions to give 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridocobaltate(II), (C12H12N2)[CoCl4], (I), and 4-[(E)-2-(pyridin-1-ium-2-yl)ethenyl]pyridinium tetrachloridozincate(II), (C12H12N2)[ZnCl4], (II). The compounds have been structurally characterized by single-crystal X-ray diffraction analysis, showing the formation of a three-dimensional network throughX—H...ClnM−(X= C, N+;n= 1, 2;M= CoII, ZnII) hydrogen-bonding interactions and π–π stacking interactions. The title compounds were also characterized by FT–IR spectroscopy and thermogravimetric analysis (TGA).

scholarly journals Synthesis and Crystal Structure of the New Telluric Acid Adduct (RbCl)3·Te(OH)6

2012 ◽  
Vol 67 (1) ◽  
pp. 1-4
Author(s):  
Dirk Mahlmeister ◽  
Elisabeth Irran
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Tellurium Atom ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network ◽  
Tricapped Trigonal Prism ◽  
Acid Adduct ◽  
Oxygen Atoms

The new telluric acid adduct (RbCl)3 ・ Te(OH)6 was prepared by dissolving RbCl and Te(OH)6 in the molar ratio of 3 : 1 in deionized water at r. t. and slow evaporation of the solvent in air. The crystal structure of the colorless crystals was determined with single-crystal X-ray diffraction (trigonal space group: R3̄c (no. 167), a = 14.4392(8), c = 10.4301(16) Å , Z = 6). In (RbCl)3 ・ Te(OH)6, the rubidium atom is surrounded by five chlorine and four oxygen atoms in form of an irregular tricapped trigonal prism. Each tellurium atom is octahedrally surrounded by six oxygen atoms. The Te(OH)6 octahedra and the RbCl5O4 polyhedra are linked to a dense three-dimensional network which is additionally strengthened by hydrogen bonds.

scholarly journals Synthesis, crystal structure and charge-distribution validation of a new alluaudite-type phosphate, Na2.22Mn0.87In1.68(PO4)3

2020 ◽  
Vol 76 (8) ◽  
pp. 1369-1372
Author(s):  
Abdessalem Badri ◽  
Inmaculada Alvarez-Serrano ◽  
María Luisa López ◽  
Mongi Ben Amara
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Three Dimensional ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Flux Method ◽  
X Ray ◽  
Coordination Numbers ◽  
Dimensional Network ◽  
Anionic Framework

Na2.22Mn0.87In1.68(PO4)3, sodium manganese indium tris(phosphate) (2.22/0.87/1.68), was obtained in the form of single crystals by a flux method and was structurally characterized by single-crystal X-ray diffraction. The compound belongs to the alluaudite structure type (space group C2/c) with general formula X(2)X(1)M(1)M(2)2(PO4)3. The X(2) and X(1) sites are partially occupied by sodium [occupancy 0.7676 (17) and 1/2] while the M(1) and M(2) sites are fully occupied within a mixed distribution of sodium/manganese(II) and manganese(II)/indium, respectively. The three-dimensional anionic framework is built up on the basis of M(2)2O10 dimers that share opposite edges with M(1)O6 octahedra, thus forming infinite chains extending parallel to [10\overline{1}]. The linkage between these chains is ensured by PO4 tetrahedra through common vertices. The three-dimensional network thus constructed delimits two types of hexagonal channels, resulting from the catenation of M(2)2O10 dimers, M(1)O6 octahedra and PO4 tetrahedra through edge- and corner-sharing. The channels are occupied by Na+ cations with coordination numbers of seven and eight.

The new P-chalcopyrite compound Cu2FeIn2Se5; synthesis, thermal analysis (DTA), and crystal structure analysis by X-ray powder diffraction (XRPD)

2021 ◽  
Vol 67 (1 Jan-Feb) ◽  
pp. 18
Author(s):  
G. E. Delgado ◽  
P. Grima-Gallardo ◽  
J. A. Aitken ◽  
A. Cárdenas ◽  
I. Brito
Keyword(s):  
Crystal Structure ◽  
Thermal Analysis ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
Chalcopyrite Structure ◽  
Distribution Analysis ◽  
X Ray Diffraction ◽  
Quaternary Compound ◽  
X Ray ◽  
Cell Parameters

The Cu2FeIn2Se5 alloy, belonging to the system (CuInSe2)1-x(FeSe)x with x= ⅓, was synthesized by the melt and annealing technique. The differential thermal analysis (DTA) indicates that this compound melts at 1017 K. The crystal structure of this new quaternary compound was established using powder X-ray diffraction. Cation distribution analysis indicates that this material crystallizes in a P-chalcopyrite structure, space group P2c (Nº 112), with unit cell parameters a = 6.1852(2) Å, c = 12.3633(9) Å, V = 472.98(4) Å3. Cu2FeIn2Se5 is a new adamantane type compound derivative of the sphalerite structure, and consists of a three-dimensional arrangement of distorted CuSe4, FeSe4, and InSe4 tetrahedral connected by common faces.

Crystal structure of low-cristobalite-type Al0.5Ga0.5PO4: A combined Rietveld refinement of neutron and X-ray diffraction data

2005 ◽  
Vol 20 (3) ◽  
pp. 207-211 ◽  
Author(s):  
S. N. Achary ◽  
A. K. Tyagi ◽  
S. K. Kulshreshtha ◽  
O. D. Jayakumar ◽  
P. S. R. Krishna ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
Tetrahedral Coordination ◽  
X Ray Diffraction ◽  
Rietveld Refinements ◽  
X Ray ◽  
Cell Parameters ◽  
Bond Lengths

The low-cristobalite-type modification of Al0.5Ga0.5PO4 is prepared by annealing the amorphous precipitate of stoichiometric phosphate at 1300 °C. The phase purity of the sample is ascertained by powder X-ray diffraction. The crystal structure is refined by Rietveld refinements of the neutron and X-ray diffraction data of the polycrystalline powder. This compound crystallizes in an orthorhombic lattice with unit cell parameters, a=7.0295(8), b=7.0132(8), and c=6.9187(4) Å, V=341.08(6) Å3, Z=4 (Space group C 2221, No. 20). The crystal structure analysis reveals the random distribution of the Al3+ and Ga3+ having tetrahedral coordination with typical M–O (M=Al3+:Ga3+) bond lengths as 1.74 Å. Similarly, the P5+ have tetrahedral coordination with typical P–O bond lengths 1.52–1.54 Å. The Mo4 and PO4 tetraheda are linked by common corners forming a three-dimensional framework lattice. The details of the crystal structure are presented in this paper.

Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP)

2018 ◽  
Vol 74 (8) ◽  
pp. 981-985
Author(s):  
Flávia H. Silva ◽  
Chris H. J. Franco ◽  
Charlane C. Corrêa ◽  
Renata Diniz
Keyword(s):  
Crystal Structure ◽  
Topological Analysis ◽  
Three Dimensional ◽  
Strong Interactions ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Rigidity ◽  
Dimensional Network ◽  
Point Symbol

Aromatic polycarboxylate linkers provide structural rigidity and strong interactions among the metal centre and the carboxylate O atoms. A new three-dimensional coordination polymer namely, catena-poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]], {K[Zn(C8H3O7S)(H2O)4]} n or {K[Zn(SIP)(H2O)4]} n , where SIP is 5-sulfobenzene-1,3-dicarboxylate or 5-sulfoisophthalate, was obtained and characterized by elemental analysis and IR vibrational spectroscopy, and the single-crystal structure was determined by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P21/n with Z = 4. Topological analysis revealed that K—O interactions form a two-dimensional network, which is uninodal 4-connected and can be described with a point symbol (44.62), and this plane network is classified as sql/Shubnikov. The layers are connected by Zn2+ ions coordinated to the SIP linker, forming a three-dimensional network. This net is a trinodal (3,5,6)-connected system with point symbol (3.44.52.62.73.83).(3.44.52.62.7).(3.72).

Crystal structure of praseodymium sulphate octahydrate

1981 ◽  
Vol 155 (3-4) ◽  
Author(s):  
I. S. Ahmed Farag ◽  
M. A. El-Kordy ◽  
N. A. Ahmed
Keyword(s):  
Crystal Structure ◽  
Least Squares Method ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Bridging Ligand ◽  
Dimensional Network ◽  
Anisotropic Temperature ◽  
Temperature Factors

AbstractThe crystals of PrThe crystal structure has been determined from three-dimensional single-crystal X-ray diffraction data and refined by the least-squares method, using anisotropic temperature factors, to a discrepancy index ofThe molecules are arranged in layers forming a three-dimensional network. Each Pr atom is coordinated with eight oxygen atoms, four of which are related to sulphate groups, the other four are to water molecules. The sulphate ion, located at the twofold axis, behaves as a bidentate bridging ligand connecting two Pr atoms. The other sulphate ion acts as a threefold bridging ligand between three neighbouring Pr atoms.

Sign in / Sign up

Export Citation Format

Share Document