scholarly journals Synthesis, Crystal Structures, and DNA Binding Properties of Zinc(II) Complexes with 3-Pyridine Aldoxime

2010 ◽  
Vol 2010 ◽  
pp. 1-7 ◽  
Author(s):  
Konstantis F. Konidaris ◽  
Rigini Papi ◽  
Eugenia Katsoulakou ◽  
Catherine P. Raptopoulou ◽  
Dimitrios A. Kyriakidis ◽  
...  
Keyword(s):  
Monoclinic Space Group ◽  
Pyridyl Nitrogen ◽  
Mobility Shift ◽  
Space Group ◽  
Pyramidal Geometry ◽  
Carboxylate Oxygen ◽  
Water Lattice ◽  
Oxygen Atoms

The employment of 3-pyridine aldoxime, (3-py)CHNOH, in ZnIIchemistry has afforded two novel compounds: [Zn(acac)2{(3-py)CHNOH}]⋅H2O(1⋅H2O) [where acac-is the pentane-2,4-dionato(-1) ion] and [Zn2(O2CMe)4{(3-py)CHNOH}2] (2). Complex1⋅H2Ocrystallizes in the monoclinic space groupP21/n. The ZnIIion is five-coordinated, surrounded by four oxygen atoms of two acac-moieties and by the pyridyl nitrogen atom of the (3-py)CHNOH ligand. Molecules of1interact with the water lattice molecules forming a 2D hydrogen-bonding network. Complex2crystallizes in the triclinicP-1space group and displays a dinuclear paddle-wheel structure. Each ZnIIexhibits a perfect square pyramidal geometry, with four carboxylate oxygen atoms at the basal plane and the pyridyl nitrogen of one monodentate (3-py)CHNOH ligand at the apex. DNA mobility shift assays were performed for the determination of thein vitroeffect of both complexes on the integrity and the electrophoretic mobility of pDNA.

Multiple Metal Coordination by Calixarenes: A Structure Determination of Relevance to the Use of Calixarenes as Solvent Extraction Agents

1999 ◽  
Vol 52 (5) ◽  
pp. 403 ◽  
Author(s):  
Zouhair Asfari ◽  
Jack M. Harrowfield ◽  
Pierre Thuéry ◽  
Martine Nierlich ◽  
Jacques E. Vicens
Keyword(s):  
Solvent Extraction ◽  
Structure Determination ◽  
Metal Coordination ◽  
Monoclinic Space Group ◽  
Sodium Ions ◽  
Space Group ◽  
Axial Coordination ◽  
Carboxylate Oxygen ◽  
Insoluble Material

An insoluble material formed in attempts to extract the copper(II) complex of (R,S)-5,5,7,12,12,14- hexamethyl-1,4,8,11-tetraazacyclotetradecane with the tetraanion of tetrakis(carboxymethyl) p-t-butylcalix[4]arene recrystallizes from pyridine with the composition [Cu(C16H36N4)] [Na2(C52H60O12)].2C5H5N.4·5H2O. The crystals are monoclinic, space group P 21/c (C52h, No. 14); a 26·8524(8), b 12·8151(2), c 25·6525(8) Å; β 115·356(1)°. The structure was refined on F2 (11379 reflections, 955 parameters), giving conventional R1 0·057 (wR2 0·118). The calixarene encapsulates two sodium ions and has only tenuous connection to the copper/macrocycle complex through axial coordination of one carboxylate oxygen.

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Crystal and molecular structure of di-o-anisylketone

1985 ◽  
Vol 63 (12) ◽  
pp. 3374-3377 ◽  
Author(s):  
C. Faerman ◽  
S. C. Nyburg ◽  
G. Punte ◽  
B. E. Rivero ◽  
A. A. Vitale ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Twist Conformation ◽  
Oxygen Atoms

The crystal and molecular structure of the title compound, C15H14O3, is described. Crystals are monoclinic, space group P21/n, a = 9.893(5), b = 10.719(5), c = 12.136(3) Å, β = 90.56(3)°. The molecule has a twist conformation and interactions between oxygen atoms of the methoxyl groups are thought to play some part in this.

Fluoride und Fluorosäuren, VIII [1]. Über eine fehlgeordnete feste Phase des SF4 sowie die Kristallstrukturen von Produkten seiner unbeabsichtigten Hydrolyse in Glasapparaturen, SiF4 (Neubestimmung) und SOF2 / Fluorides and Fluoro Acids, VIII [1]. On a Disordered Solid Phase of SF4 and the Crystal Structures of Products of its Unintentional Hydrolysis in Glass Apparatus, SiF4 (Redetermination) and SOF2

1984 ◽  
Vol 39 (10) ◽  
pp. 1295-1299 ◽  
Author(s):  
Dietrich Mootz ◽  
Lutz Korte
Keyword(s):  
Solid Phase ◽  
Zone Melting ◽  
Close Packing ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Pyramidal Geometry ◽  
Vacuum Line ◽  
Melting Separation ◽  
Hydrolysis Of ◽  
Isolated Molecules

A structural investigation on single crystals of SF4 yielded the cubic space group Fm3m with a = 676.1(5) pm and Z = 4 and from this cubic close packing and at least sixfold disorder of isolated molecules. In one of the experiments of manipulating SF4 unintentional hydrolysis of the compound in a Duran-glass vacuum line occurred. The products SiF4 and SOF2 could be characterized by structure analysis after a miniature zone-melting separation and crystal growth in one and the same thin-walled capillary. The results for SiF4 [14̄3m, a = 547.6(1) pm, Z = 2 at -117 °C] confirm earlier work with a higher numerical accuracy. SOF2 crystallizes in the monoclinic space group P21/c with a = 524.7(1), b = 704.9(2), c = 1449.3(4) pm, β = 97.20(2)° at - 137 °C and Z = 8. Isolated molecules of pyramidal geometry are arranged in strongly folded layers with intermolecular S···O contacts.

Polysulfonylamine, LXIII [1] / Polysulfonylamines, LXIII [1]

1995 ◽  
Vol 50 (1) ◽  
pp. 128-138 ◽  
Author(s):  
Dagmar Henschel ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bond ◽  
Phenyl Group ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
Amine Molecule ◽  
Chain Sequence ◽  
O 193 ◽  
Oxygen Atoms

Complexes of Uncharged Molecules, Crystal StructureThe thermally labile ternary complexes 18C6 · 2MeOH · 2 HN(SO2Ph)2 (2a), 18C6 · 2MeOH · 2HN(SO2–C6H4-4-Cl)2 (2b) and 18C6 · 3 MeOH · HN(SO2Me)(SO2Ph) (3) were obtained by co-crystallization of 18-crown-6 (18C6) and the appropriate di(organosulfonyl)amine from methanolic solutions and characterized by low-temperature X-ray diffraction. The crystal structures of 2a (monoclinic, space group P21/n) and 2b (triclinic, space group P1̄) consist of monomeric, centrosymmetric formula units. Each di(arenesulfonyl)-amine molecule is connected to a methanol molecule by an N-Η ··· O hydrogen bond (H ··· O 203 pm in 2a, 190 pm in 2b). The methanol molecules are linked to three alternate crown oxygen atoms via one O-Η ··· O(crown) hydrogen-bond and two weaker C-Η ··· O(crown) interactions (OH ··· O 201 pm in 2a, 186 pm in 2b; CH ··· O 236 and 247 pm in 2a, 240 and 254 pm in 2b); two symmetry-related oxygen atoms of the crown are involved in O-Η ··· O and the other four in C-Η ··· O interactions. The structure of complex 3 (monoclinic, space group P21) is built of infinite chains parallel to [101]. The methyl group of the di(organosulfonyl)amine is bonded by C-Η ··· O(crown) interactions to a set of three alternate oxygen atoms of the cyclic polyether (H ··· O 228, 245 and 247 pm). Starting from the acidic NH function, a sequence of three methanol molecules catenated by hydrogen bonds curves around the bulky phenyl group and links with its terminal MeOH through one O-H ··· O(crown) and two C-Η ··· O(crown) bonds to the second set of alternate oxygen atoms in the adjacent symmetry-equivalent crown (OH ··· O 193 pm, CH ··· O 248 and 250 pm). Within the chain sequence N-H ··· O′(Me)H′ ··· O″(Me)H″ ··· O‴(Me)H, the H ··· O distances are H ··· O′ 184, H′ ··· O″ 189 and H″··· O‴ 183 pm. In the structures of 2a, 2b and 3, the crown rings adopt the frequently observed D3d pseudosymmetry.

Stabilisierung des reaktiven Methylcarbonat-Ions im Kronenether- Komplex [Cs(18-Krone-6)(CH3CO3)] und dessen Hydrolyseprodukt / Stabilization of the Reactive Methylcarbonate Ion in the Crown Ether Complex [Cs(18-crown-6)(CH3CO3)], and its Hydrolysis Product

2008 ◽  
Vol 63 (9) ◽  
pp. 1101-1106
Author(s):  
Adelė Jonušaite ◽  
Arnold Adam
Keyword(s):  
Crown Ether ◽  
Hydrolysis Product ◽  
Starting Material ◽  
Monoclinic Space Group ◽  
Bidentate Ligands ◽  
Space Group ◽  
Methyl Carbonate ◽  
Hydrolysis Of ◽  
Ether Complex ◽  
Oxygen Atoms

[Cs(18-crown-6)(CH3CO3)] (1) has been obtained by the reaction of CsOCH3 with 18-crown-6 (1,4,7,10,13,16-hexaoxacyclooctadecane) in methanol in a CO2 atmosphere. The compound crystallizes in the monoclinic space group P21/n (no. 14) with a = 12.141(3), b = 8.610(1), c = 17.985(4) Å , β = 91.17(2)° and V = 1879.6(7) Å3. Cs is tenfold coordinated by six oxygen atoms of the crown ether and four oxygen atoms of two methyl carbonate anions which act as bidentate ligands. The slow hydrolysis of the methylcarbonate results in the hydrogencarbonate complex {Cs2(18-crown- 6)2 · [H2(CO3)2] · H2O · CH3OH} (2), the basic structural constitution of the starting material being retained. This new compound crystallizes in the monoclinic space group P21/c with a = 8.657 (7), b = 22.601 (2), c = 19.619 (15) Å, β = 92.09 (6)° and V = 3836.5 (6) Å3.

scholarly journals Crystal structure of β-Zn3(PO4)2

1967 ◽  
Vol 45 (20) ◽  
pp. 2303-2316 ◽  
Author(s):  
J. S. Stephens ◽  
C. Calvo
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Basic Cation ◽  
Cation Coordination ◽  
Oxygen Atoms

β-Zn3(PO4)2 crystallizes in the monoclinic space group P 21/c with lattice parameters, a = 9.393(3) Å, b = 9.170(6) Å, c = 8.686(3) Å, β = 125.73(10)°, and Z = 4. The three independent cations are strongly ligated to 4, 5, and 5 oxygen atoms, with average Zn—O bond distances of 1.98 ± 0.09 Å, 2.10 ± 0.10 Å, and 2.08 ± 0.13 Å respectively. In addition there are two longer Zn—O distances of 2.51 Å and 2.55 Å in this structure. The PO4 groups exist as independent, nearly regular tetrahedra, with each oxygen atom ligated to two cations. Unlike the structures found for the α and γ phases of Zn3(PO4)2, which contain ribbons and sheets respectively as the basic cation coordination motif, the structure of β-Zn3(PO4)2 contains interconnected sheets.

Carbacylamidophosphates: Synthethis and Structure of N,N'-Tetramethyl-NM-benzoylphosphoryltriamide and Dimorpholido-N-benzoylphosphorylamide

2000 ◽  
Vol 55 (6) ◽  
pp. 495-498 ◽  
Author(s):  
Katerina E. Gubina ◽  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Viktor V. Skopenkoa ◽  
Oleg V. Shishkinb
Keyword(s):  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Sodium Salts ◽  
Space Group ◽  
X Ray ◽  
Centrosymmetric Dimers ◽  
Oxygen Atoms

N,N′-Tetramethyl-N"-benzoylphosphoryltriamide (I) and dimorpholido-N-benzoylphosphorylamide (II), and their sodium salts Nal, Nall were synthesized and characterized by means of IR and 1H, 31P NMR spectroscopy. The structures of I, II were determined by X-ray diffraction: I monoclinic, space group P2i/c with a = 10.162(3), b= 11.469(4), c = 12.286(4) Å , β = 94.04°, V = 1428.4(8) A 3, Z = 4, p(calcd) = 1.187 g/cm3; II monoclinic, space group C2/c with a = 15.503(4), b = 10.991(3), c = 22.000(6) Å, β = 106.39°, V = 3596.3(17) Å3, Z = 8, p(calcd.) = 1.253 g/cm3. The refinement of the structures converged at R = 0.0425 for I, and R = 0.068 for II. In both structures the molecules are connected into centrosymmetric dimers via hydrogen bonds formed by the phosphorylic oxygen atoms and hydrogen atoms of amide groups.

Copper(II) Compounds of 5-Alkyl-3,5,7-triazanonane-1,9-diamines and 3,10-Bisalkyl-1,3,5,8,10,12-hexaaza-cyclotetradecanes; the Structure of 1R,5S,8R,12S-{3,10-Bis(2-hydroxypropyl)-1,3,5,8,10,12-hexaaza-cyclotetradecane-N1,N5,N8,N12} copper(II) Perchlorate

1998 ◽  
Vol 51 (8) ◽  
pp. 673 ◽  
Author(s):  
David Anastasi ◽  
Neil F. Curtis ◽  
Olga P. Gladkikh ◽  
Timothy J. C. Goode ◽  
David C. Weatherburn
Keyword(s):  
Hydrogen Bonds ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Perchlorate Ion ◽  
Alkyl Groups ◽  
Hydroxy Groups ◽  
Oxygen Atoms

Preparations are reported for (3,10-bisalkyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) perchlorates (alkyl = propyl, 1-methylethyl, butyl, cyclohexyl, 2-(diethylammmonio)ethyl, 2-hydroxyethyl, 3- hydroxypropyl and 2-hydroxypropyl) by reaction of bis(ethane-1,2-diamine)copper(II) perchlorate with methanal, and alkylamines. The structure of {3,10-bis(2-hydroxypropyl)-1,3,5,8,10,12-hexa-azacyclotetradecane}copper(II) perchlorate is reported [C14H34Cl2CuN6O10, monoclinic, space group P21/c, a 8·504(2), b 14·855(5), c 9·034(2) Å, β 98·99(2)°, Z 2, R1 0· 061 for 1667 reflections]. The centrosymmetrical cation has a mean Cu–N distance of 2·001(4) Å, with perchlorate ion oxygen atoms weakly coordinated in the axial sites with a Cu–O distance of 2·61(1) Å. The planar copper(II) macrocycle cations form stacks which are linked by N–H · · · O and O–H · · · O–ClO3 hydrogen bonds involving the extended 2-hydroxypropyl substituents, with no interaction between the copper(II) ion and the hydroxy groups. (5-Alkyl-3,5,7-triazanonane-1,9-diamine)copper(II) perchlorate compounds with the same 3-substituent alkyl groups (plus methyl, and ethyl, and also phenyl) are similarly prepared by using 1 mole proportion of the amine and 2 mole proportions of methanal

Organoamido- and Aryloxo-lanthanoids. X. Tris(η2-3,5-di-t-butylpyrazolato)lanthanoid(III) Complexes and the X-Ray Crystal Structure of Er(η2-But2pz)3(thf)2

1994 ◽  
Vol 47 (7) ◽  
pp. 1223 ◽  
Author(s):  
JE Cosgriff ◽  
GB Deacon ◽  
BM Gatehouse ◽  
H Hemling ◽  
H Schumann
Keyword(s):  
Crystal Structure ◽  
Triphenylphosphine Oxide ◽  
The Other ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Oxygen Atoms

The complexes Ln (But2pz)3( thf )2 ( Ln = Y, La, Pr, Nd , Sm, Gd, Dy , Er , Yb, Lu; But2pz- = 3,5-di-t-butylpyrazolate; thf = tetrahydrofuran ), and [ Ln (But2pz)3(OPPh3)2].( dme )n ( Ln = La, n = ⅔ ; Ln = Er , n = 1; dme = 1,2-dimethoxyethane) have been prepared by reaction of the lanthanoid metal with bis ( pentafluorophenyl )mercury and the corresponding pyrazole in either thf , or in dme in the presence of triphenylphosphine oxide. The X-ray crystal structure of Er (η2-But2pz)3( thf )2 [monoclinic, space group P21 (No. 4), a 9.738(4), b 19.602(4), c 11.636(4) Ǻ, β 99.42(3)°, R 0.0374 for 3667 observed reflections] shows the complex to be an eight-coordinate monomer with three chelating But2pz ligands . The arrangement of centres ( Cen ) of the N-N bonds of the But2pz ligands [< Er -N> 2.336 Ǻ; Cen-Er-Cen 140.1(4)°, 110.3(4)° and 109.6(4)°] and the thf oxygen atoms [< Er -O> 2.351 Ǻ; O- Er -O 140.1(4)°] is intermediate between trigonal bipyramidal and square pyramidal. The other Ln (But2pz)3( thf )2 complexes and Ln (But2pz)3(OPPh3)2 are considered to have similar structures.

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