scholarly journals Synthesis, crystal structure and Hirshfeld surface analysis of copper(I) nitrate -complex based on 1-(2,6-dimethylphenyl)-5-allylsulfanyl-1H-tetrazole

2021 ◽  
pp. 84-89
Author(s):  
O.V. Pavlyuk ◽  
◽  
Yu.I. Slyvka ◽  
N.T. Pokhodylo ◽  
M.G. Mys'kiv
Keyword(s):  
Crystal Structure ◽  
Copper Wire ◽  
Noncovalent Interaction ◽  
Electrochemical Technique ◽  
Coordination Environment ◽  
X Ray ◽  
Weak Hydrogen Bonds ◽  
Nitrate Anions ◽  
Propanol Solution ◽  
Oxygen Atoms

By means of the alternating current electrochemical technique and starting from copper wire electrodes in propanol solution of corresponding ligand and copper(II) nitrate, novel copper(I) -complex [Cu2(C12H14SN4)2(NO3)2] (1) has been obtained and X-ray structurally investigated: sp. gr. , a=7.352(3) Å, b=8.269(3) Å, c=12.723(4) Å, =82.08(3)0, =82.74(3)0, =88.37(3)0, V=759.9(5) Å3, Z=2, dcalc=1.625 g cm–3, (CuK)=3.502 mm–1, max=67.960, 4119 measured reflections, 1248 used reflections, 201 refined parameters, R(F2)=0.0915, S=0.95. The trigonal-pyramidal copper(I) coordination environment consists of nitrogen atom and allylic group of ligand, and of two oxygen atoms from crystallographically distinct nitrate anions. Due to a bridging function of oxygen atoms of nitrate anions, two metal-containing polyhedra are connected into {Cu2L2(NO3)2} topological units which are additionally stabilized by noncovalent interaction CuO(2). Comparatively weak hydrogen bonds C–HO exist in the crystal structure of [Cu2(C12H14SN4)2(NO3)2] (1).

Crystal Structure of Lead(II) Complexes with 2,2'-Iminodiethanol

1994 ◽  
Vol 49 (5) ◽  
pp. 615-620 ◽  
Author(s):  
Alexander V. Sienkiewicz ◽  
Vladimir N. Kokozay
Keyword(s):  
Crystal Structure ◽  
Chloride Complex ◽  
Nitrate Complex ◽  
Coordination Environment ◽  
X Ray ◽  
X Ray Crystallography ◽  
Metal Atoms ◽  
Structural Differences ◽  
Type Crystal ◽  
Oxygen Atoms

The lead(II) complexes of 2,2'-iminodiethanol (H2Dea)Pb2(Dea)(NO3)2(DMF), Pb2(HDea)2Cl2 and [Pb2Br6](H3Dea)2(DMF=N,N-dimethylformamide) have been synthesized from the com­ponents and characterized by X-ray crystallography. Both mono- (HDea) and doubly (Dea) deprotonated HN(CH2CH2OH)2 are coordinated via oxygen and nitrogen atoms in Pb2(Dea)(NO3)2(DMF) and Pb2(TIDea)2Cl2. The nitrate complex contains three- and two- coordinate lead(II) atoms linked by μ2-bridging oxygen atoms, whilst in the chloride complex four- and two-coordinate metal atoms are also associated by μ2-bridging oxygen atoms. In [Pb2Br6](FI3Dea)2 the nearest coordination environment of metal atoms consists of bromine atoms only, while the H3Dea+ cations are not coordinated to lead atoms at all. The structural differences between the coordination environments of the lead atoms are discussed in connec­tion with the inert pair effect. All compounds possess ionic type crystal structures.

scholarly journals Synthesis and Complexation Properties of 2-Hydroxy-5-methoxyphenylphosphonic Acid (H3L1). Crystal Structure of the [Cu(H2L1)2(Н2О)2] Complex

2021 ◽  
Vol 91 (11) ◽  
pp. 2176-2186
Author(s):  
G. S. Tsebrikova ◽  
Yu. I. Rogacheva ◽  
I. S. Ivanova ◽  
A. B. Ilyukhin ◽  
V. P. Soloviev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Methoxy Group ◽  
Protonation Constants ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Stability ◽  
Intramolecular Hydrogen ◽  
Oxygen Atoms

Abstract 2-Hydroxy-5-methoxyphenylphosphonic acid (H3L1) and the complex [Cu(H2L1)2(H2O)2] were synthesized and characterized by IR spectroscopy, thermogravimetry, and X-ray diffraction analysis. The polyhedron of the copper atom is an axially elongated square bipyramid with oxygen atoms of phenolic and of monodeprotonated phosphonic groups at the base and oxygen atoms of water molecules at the vertices. The protonation constants of the H3L1 acid and the stability constants of its Cu2+ complexes in water were determined by potentiometric titration. The protonation constants of the acid in water are significantly influenced by the intramolecular hydrogen bond and the methoxy group. The H3L1 acid forms complexes CuL‒ and CuL24‒ with Cu2+ in water.

Two Modifications of Hg5Re2O10

1995 ◽  
Vol 50 (9) ◽  
pp. 1335-1339 ◽  
Author(s):  
Marietta S. Schriewer-Pöttgen ◽  
Wolfgang Jeitschko
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Elemental Mercury ◽  
Oxidation States ◽  
X Ray ◽  
Structure Factors ◽  
Oxygen Atoms

AbstractThe previously reported mercury perrhenate Hg5Re2O10, prepared hydrothermally, has now been obtained by reaction of HgO with the mercury(II) metaperrhenate Hg(ReO4)2 in sealed silica tubes. A second modification of this compound can be obtained by reaction of elemental mercury with Hg(ReO 4)2 also in sealed silica tubes. Its crystal structure has been determined from single-crystal X-ray data: P21/c, a - 861.5(1), b = 1200.9(2), c = 1203.9(2) pm, β = 97.15(1)°, Z = 4, R = 0.024 for 1733 structure factors and 105 variables. Both modifications may be represented by the formula Hg2+-2Hg2O - 2ReO4-, indicating that mercury occurs in oxidation states I and II. In both modifications the mercury and some oxygen atoms form two-dimensionally infinte, puckered, cationic nets of the composition (Hg2+-2Hg2O)n , which are separated by the ReO4- tetrahedra. In the modification reported earlier the mercury oxygen nets consist of condensed 16-membered rings, while the nets of the present modification contain 10- and 22-membered rings.

scholarly journals Crystal structure of bis(acetato-κ2 O,O′)diaqua[1-(pyridin-2-ylmethylidene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN 1]terbium(III) nitrate monohydrate

2017 ◽  
Vol 73 (8) ◽  
pp. 1121-1124 ◽  
Author(s):  
NDiaye Mbossé Gueye ◽  
Dieng Moussa ◽  
Elhadj Ibrahima Thiam ◽  
Aliou Hamady Barry ◽  
Mohamed Gaye ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Nitrate Anions ◽  
Trigonal Prismatic

In the title compound, [Tb(C2H3O2)2(C11H10N4)(H2O)2]NO3·H2O, the Tb3+ ion is nine-coordinated in a distorted tricapped trigonal-prismatic geometry by the three N atoms of the tridentate 1-(pyridin-2-ylmethylidene)-2-(pyridin-2-yl)hydrazine ligand, four carboxylate O atoms of two chelating acetate groups and two O atoms of the coordinating water molecules. The organic hydrazine ligand is disordered over two orientations with a refined occupancy ratio of 0.52 (3):0.48 (3). All bond lengths in the coordination environment of the Tb3+ ion are slightly larger than those observed in the isostructural Y3+ and Er3+ complexes. In the crystal, the complex cations are linked by pairs of O—H...O hydrogen bonds into dimers. These dimers, nitrate anions and non-coordinating water molecules are joined by O—H...O and N—H...O hydrogen bonds into a three-dimensional structure.

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.

Preparation and X-Ray Crystal-Structure of 4,4'-Triselenobis(pent-3-en-2-one)

1988 ◽  
Vol 41 (10) ◽  
pp. 1601 ◽  
Author(s):  
AP Arnold ◽  
KJ Cavell ◽  
AJ Edwards ◽  
BF Hoskins ◽  
EJ Peacock
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Selenium Atom ◽  
Hydrogen Selenide ◽  
Unusual Structure ◽  
Coordination Environment ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Sodium Hydrogen

The title compound was prepared by the reaction of sodium hydrogen selenide with 4-chloropent-3-en-2-one. The compound appears unstable with respect to higher oligomers of the SeC (CH3)CHC(CH3)O ( seacac ) unit. X-ray crystallography reveals the unusual structure in which a central 'complexed' selenium atom is coordinated to the two selenium atoms of the seacac ligands which are in their normal cis conformations. The oxygen atoms are uncoordinated and as far removed from the coordination environment of the central selenium atom as possible. Crystals of Se( seacac )2 are orthorhombic with space group P21212, and cell dimension a 9.761(2), b 14.828(3) and c 4.6447(5)Ǻ.

Synthese und Kristallstruktur von l,13-Bis(8-chinolyl)- 1,4,7,10,13-pentaoxatridecan-diquecksilber(I)-diperchlorat

1991 ◽  
Vol 46 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Klaus Brodersen ◽  
Jörg Zimmerhackl
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
R Value ◽  
Torsional Angles ◽  
L 13 ◽  
Oxygen Atoms

1,13-Bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane-dimercury(I)-diperchlorate is formed by the reaction of 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane in ethanol with an aqueous solution of dimercury(I)-diperchlorate.It crystallizes in the triclinic space group P Ī with a = 1020.6(2), b = 1200.6(8), c = 1441.1(6) pm , α = 69.60(5)°, β = 83.04(13)°, y = 66.53(4)° and Z = 2. The crystal structure was determined by X -ray diffraction and refined to an R-value o f 0.079. The Hg22+ -ion is coordinated to both nitrogen atoms and four oxygen atoms of one molecule of the ligand. By changing four C - O torsional angles from trans to gauche, the ligand adopts a helical, chiral configuration around the Hg22+-ion. The CIO4--ions are not coordinated to the Hg22+-ion.

Study of Garnets by ALCHEMI

2001 ◽  
Vol 7 (S2) ◽  
pp. 358-359
Author(s):  
János L. Lábár ◽  
Lajos Tόth ◽  
István Dόdony ◽  
Jerzy Morgiel
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
High Sensitivity ◽  
Unit Cell ◽  
Previous Literature ◽  
The Other ◽  
Axial Orientation ◽  
Partial Substitution ◽  
X Ray ◽  
Oxygen Atoms

Garnets were one of the first materials in which an occupation of separate lattice sites by different atomic species was determined with an ALCHEMI technique proposed by Spence and Tafto in l982. The reason of so much interest in this material was twofold, i.e. first its known high sensitivity of X-ray generation depending on orientation especially in the axial orientation and second its complicated crystal structure allowing different atomic arrangements in the unit cell depending on its chemical composition. The dodecahedral (X), octahedral (Y) and tetrahedral (Z) sites between the relatively large oxygen atoms can be filled with a variety of small cations in accordance with the formula X3Y2Z3O12. Partial substitution of one cation with another is common in this structure. The results presented in the previous literature indicated that ALCHEMI can only separate the Y-sites from the sum of the other two (X+Z), while the latter has to remain unresolved.

Selten-Erd-Mandelate. Synthese und Kristallstrukturen von Pr(Man)3(ManH) und Er(Man)3(H2O)2 / Synthesis and Crystal Structures of Pr(Man)3(ManH) and Er(Man)3(H2O)2

2005 ◽  
Vol 60 (7) ◽  
pp. 753-757 ◽  
Author(s):  
Claudia Bromant ◽  
Wassiliki Nika ◽  
Ingo Pantenburg ◽  
Gerd Meyer
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Mandelic Acid ◽  
Hydroxyl Group ◽  
Water Molecules ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Rare Earth Salts ◽  
Alcoholic Hydroxyl ◽  
Oxygen Atoms

Pr(Man)3(ManH) and Er(Man)3(H2O)2 (ManH = mandelic acid) have been synthesized by slow evaporation of aqueous solutions of rare-earth salts (Pr(OH)3, ErCl3 · 6H2O) with mandelic acid (α-hydroxy-phenyl acetic acid, C8H8O3) and their crystal structures were determined on the basis of X-ray data. In the crystal structure of Pr(Man)3(ManH) (1) (monoclinic, P21, a = 574.8(1), b = 3042.5(4), c = 908.4(1) pm, β = 92.09(2)°, Z = 2) the Pr(III) ions are surrounded by eight oxygen atoms in a distorted square antiprismatic fashion with distances Pr-O in the range 241 to 254 pm. These polyhedra are connected by coordinative bonds to chains paralleling the crystallographic [100] direction. In Er(Man)3(H2O)2 (2) (orthorhombic, P212121, a = 577.7(3), b = 1816.3(13), c = 2329.4(13) pm, Z = 4) the crystal structure contains isolated complexes with octa-coordinated erbium atoms chelated by three mandelate anions through one of their carboxylate oxygen atoms and the alcoholic hydroxyl group. Two water molecules complete the distorted square antiprismatic coordination sphere.

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