Transition metal complexes of 6-amino 2-thiouracil; crystal structure of bis(6-amino-2-thiouracilato)aquazinc(II) dihydrate

1993 ◽  
Vol 71 (1) ◽  
pp. 29-33 ◽  
Author(s):  
M. Angustias Romero ◽  
M. Purificación Sánchez ◽  
Miguel Quirós ◽  
Francisco Sánchez ◽  
Juan Manuel Salas ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Transition Metal Complexes ◽  
Diffuse Reflectance ◽  
Zinc Complex ◽  
Magnetic Measurements ◽  
Chelate Ring ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

Complexes of 6-amino-2-thiouracil (H2ATU) with the metal ions Ni(II), Co(II), Zn(II), Cd(II), Cu(I), Ag(I), and Hg(II) have been isolated and characterized by means of elemental analysis, infrared, NMR, and visible spectroscopies, and magnetic measurements. The crystal structure of [Zn(HATU)2(H2O)] • 2H2O has been solved by X-ray diffraction showing that the metal atom is five-coordinated by a water molecule and two ligands that bind through the sulphur and N1 atoms, closing a four-member chelate ring. Diffuse reflectance spectra and magnetic measurements suggest that [Co(HATU)2(H2O)] • 2H2O has a similar structure to that of the zinc complex, and that the nickel complexes [Ni(HATU)2] and [Ni(HATU)2(H2O)2] have, respectively, a tetrahedral and a D4h-distorted octahedral environment.

Darstellung, Kristallstruktur und Infrarotspektrum von [MoNCl3 · POCl3]4/Preparation, Crystal Structure and Infrared Spectrum of [MoNCl3 · POCl3]4

1978 ◽  
Vol 33 (11) ◽  
pp. 1347-1351 ◽  
Author(s):  
Joachim Strähle ◽  
Ulrich Weiher ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Infrared Spectrum ◽  
Ir Spectrum ◽  
Triple Bond ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

Abstract [MoNCl3 · POCl3]4 is prepared both by the reaction of MoNCl3 with POCl3 as well as by the reaction of MoCl5 with NCl3 in the presence of POCl3. [MoNCl3 · POCl3]4 crystallizes in the monoclinic space group P21/c with 2 tetrameric molecules in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0.033, 1821 observed reflections). The structure consists of planar and almost square Mo4N4-eight-membered rings with alternating Mo-N bond lengths. The distorted octahedral environment of the molybdenum atoms is completed by three terminal Cl-ligands and by the oxygen atom of a POCl3 molecule, which is coordinated trans to the Mo ≡ N triple bond. The IR spectrum is discussed with respect to the vibrational spectra of the isoelectronic niobium complex [NbOCl3 · POCl3]4.

The Crystal Structure of KIO3.HIO3

1971 ◽  
Vol 49 (3) ◽  
pp. 468-476 ◽  
Author(s):  
Lilian Y. Y. Chan ◽  
F. W. B. Einstein
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
X Ray ◽  
R Factor ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Potassium Hydrogen ◽  
A Cell ◽  
Least Squares Techniques

The crystal structure of potassium hydrogen di-iodate (bi-iodate) KIO3.HIO3 was determined from three dimensional X-ray data collected by counter methods. The structure was refined by full-matrix least-squares techniques to a conventional R factor of 5.0 % for the 1392 observed reflexions. The salt crystallizes in the monoclinic space group P21/c with eight formula units in a cell of dimension a = 7.028(1) Å, b = 8.203(1) Å, c = 21.841(3) Å, β = 98.03(1)°.The iodate units are all basically pyramidal; weak interionic I—O contacts complete a very distorted octahedral environment around three iodine atoms. There is a capped octahedral (7-coordinate) environment around the remaining iodine atom. The I—O bonds are in the range 1.75–1.82 Å and the I—OH bonds are 1.91 and 1.95 Å, variations in length can be correlated with differences in the degree of involvement in (a) hydrogen bonding and (b) interaction with adjacent iodine atoms.

Induction of Λ-helicity in a zinc complex with an alanine-appended aminopyridine ligand

2021 ◽  
Vol 77 (8) ◽  
Author(s):  
Berislav Perić ◽  
Zoran Kokan ◽  
Srećko I. Kirin
Keyword(s):  
Zinc Complex ◽  
Chelate Ring ◽  
Ionic Interactions ◽  
Stacking Interactions ◽  
Neutral Ligand ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Membered Chelate Ring ◽  
The Stability

The crystal structure of tris[dimethyl 5-({1-[(pyridin-2-yl-κN)carbamoyl-κO]ethyl}carbamoyl)benzene-1,3-dicarboxylate]zinc(II) dinitrate acetonitrile trisolvate, [Zn(C19H19N3O6)3](NO3)2·3CH3CN or [Zn(L)3](NO3)2·3CH3CN, (1), has been determined by single-crystal X-ray diffraction. The neutral ligand L coordinates to the Zn2+ cation in a bidentate fashion via the pyridine N atom and an amide O atom, forming a six-membered chelate ring. The Λ-helical chirality of the Zn2+ coordination sphere is induced by pendant L-alanine residues through stacking interactions between the arene groups of two coordinated ligands, assisted by a hydrogen bond between amide groups bonded to the stacked arene rings. The third ligand is coordinated to the Zn2+ cation by the same six-membered chelate ring, but in the opposite direction with respect to the analogous chelate rings of the first two coordinated ligands. Besides ionic interactions between [ZnL 3]2+ complexes and NO3 − anions, several types of hydrogen bonds and intermolecular stacking interactions contribute to the stability of the solid-state phase.

Synthesen, Kristallstrukturen und magnetische Eigenschaften von [Li(12-Krone-4)2][Li(12-Krone-4)(OH2)]2[Nb6Cl18], [Li(15-Krone-5)2(OH2)]3[Nb6Cl18] und [(18-Krone-6)2(O2H5)]3[Nb6Cl18] / Syntheses, Crystal Structures and Magnetic Behaviour of [Li(12-Krone-4)2][Li(12-Krone-4)(OH2)]2[Nb6Cl18], [Li(15-Krone-5)2(OH2)]3[Nb6Cl18] and [(18-Krone-6)2(O2H5)]3[Nb6Cl18]

2001 ◽  
Vol 56 (10) ◽  
pp. 1025-1034 ◽  
Author(s):  
Markus Ströbele ◽  
H.-Jtirgen Meyer
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Crown Ethers ◽  
Magnetic Measurements ◽  
Structure Refinement ◽  
Magnetic Behaviour ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Paramagnetic Behaviour

The title compounds were prepared through reactions of Li2Nb6Cl16 with the corresponding crown ethers in acetone. All three compounds were obtained as dark brown crystals. Their structures were solved with the means of single-crystal X-ray diffraction.[Li(12-crown-4)2][Li(12-crown-4)(OH2)]2[Nb6Cl18]: space group P21/n, Z =2, a = 1320.4(1), b = 1879.1(1), c = 1321.7(1) pm, ß = 92.515(6)°, R1 = 0.0297 (I>2σ(I)). The crystal structure contains Li+ sandwiched by two 12-crown-4-ethers plus Li+ coordinated by one 12-crown-4- ether and one water molecule.[Li(15-crown-5)2(OH2)]3[Nb6Cl18]: space group R3̅, Z = 3, a = b = 2081.7(1), c = 1991.7(1) pm, R1 = 0.0395 (I > 2σ(I)). In the crystal structure Li+ and one water molecule are sandwiched by two 15-crown-5-ethers.[(18-crown-6)2(O2H5)]3[Nb6Cl18]: space group P1̅, Z = 1 ,a = 1405.1(1), b = 1461.1(2), c = 1492.2(2) pm; α = 98.80(1)°, ß = 98.15(1)°, γ = 97.41(1)°, R1 = 0.0538 (I > 2σ(I)). H5O2+ was found in the structure refinement sandwiched between two 18-crown-6-ethers.All compounds reported contain [Nb6Cl18] clusters with Nb-Nb distances between 299 and 301 pm. The paramagnetic behaviour expected for [Nb6Cl18]3- in all three compounds was confirmed by magnetic measurements.

Crystal Structure of Na(I) Complex with 1,5-Naphthalenedisulfonate

2013 ◽  
Vol 830 ◽  
pp. 185-188
Author(s):  
Li Hua Wang ◽  
Zhi Xiang Ji
Keyword(s):  
Crystal Structure ◽  
Chain Structure ◽  
Water Molecules ◽  
Local Geometry ◽  
Dimensional Chain ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

A new Na (I) complex, [Na (H2O)5(DMF)]·(L) (L=1,5-naphthalenedisulfonate) has been obtained in the CH3CH2OH and a little DMF solution. The complex was characterized by X-ray single crystal diffraction analysis. The results showed that the local geometry around central Na (I) ion can be described a distorted octahedral environment which connected by five water molecules and one DMF molecule. The complex formed one dimensional chain structure through intramolecule and intermolecule hydrogen bonds and π-π stacking.

The Crystal Structure and Magnetic Property of Bi-Substituted Nd2Fe17-x-yTixSiy Intermetallic Compounds

2014 ◽  
Vol 644-650 ◽  
pp. 4950-4955 ◽  
Author(s):  
Li Mei Sun ◽  
Song Bai Han ◽  
Yun Tao Liu ◽  
Dong Feng Chen ◽  
Xiang Feng Liu
Keyword(s):  
Crystal Structure ◽  
Silicon Content ◽  
Unit Cell Volume ◽  
Magnetic Measurements ◽  
Crystallographic Structure ◽  
X Ray Diffraction ◽  
Rietveld Refinements ◽  
X Ray ◽  
Si Content ◽  
Ti Content

The synergetic effects of the substitution of Ti and Si for Fe on the crystallographic structure and magnetic properties of Nd2Fe17-x-yTixSiycompounds have been comprehensively investigated by means of x-ray diffraction, neutron diffraction and magnetic measurements. Rietveld refinements of the diffraction data indicate that all the samples crystallize in the rhombohedral Th2Zn17-type structure. For a given Ti content, thea-axis and the unit cell volumeVof Nd2Fe17-x-yTixSiydecrease linearly with increasing silicon content, while thec-axis behaves complicatedly dependent on different Ti content. The site occupancies of Ti and Si in the crystallographic sites significantly change compared to what is observed in the corresponding singly substituted compounds. TheTCof doubly substituted Nd2Fe16.5-yTi0.8Siyand Nd2Fe16.5-yTi0.5Siyis higher than that of singly substituted Nd2Fe16-ySiyfor a lower Si content while the converse behavior is observed for a higher Si content. For a given Ti content, theTCof Nd2Fe17-x-yTixSiycompounds increases with increasing Si content and theMsfirst increases and then decreases. TheMsof Nd2Fe17-x-yTixSiydecreases with the increase of Ti content.

A heterotrimetallic Ni(II)–Dy(III) bis(salamo)-based complex: synthesis, structure and fluorescent property

2018 ◽  
Vol 73 (5) ◽  
pp. 281-288
Author(s):  
Qing Zhao ◽  
Ying-Qi Pan ◽  
Xiao-Yan Li ◽  
Han Zhang ◽  
Wen-Kui Dong
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Supramolecular Structure ◽  
Fluorescence Spectra ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral ◽  
Tricapped Trigonal Prism ◽  
Elemental Analyses

AbstractA discrete heterotrinuclear complex [{Ni2LDy(OAc)3(CH3OH)}2] · 2CH3OH · 3CH2Cl2, with a naphthalenediol-based acyclic bis(salamo) ligand H4L, has been synthesized and structurally characterized using elemental analyses, IR, UV/Vis and fluorescence spectra and single crystal X-ray diffraction. The crystal structure shows two crystallographically independent but chemically identical molecules (molecules I and II). All the Ni(II) atoms are hexa-coordinated with slightly distorted octahedral geometries. The central Dy atoms are nona-coordinated with slightly distorted tricapped trigonal prism geometries. An infinite 3D supramolecular structure is formed via intermolecular hydrogen bonding and C–H…π interactions.

Synthese, IR-Spektrum und Kristallstruktur des Amidinatokomplexes [Na(15-Krone-5)][Ph—C(NSiMe3)2SnCl3F] / Synthesis, IR Spectrum, and Crystal Structure of the Amidinato Complex [Na(15-Crown-5)][Ph — C(NSiMe3)2SnCl3F]

1989 ◽  
Vol 44 (8) ◽  
pp. 889-892 ◽  
Author(s):  
John David Kildea ◽  
Wolfgang Hiller ◽  
Beatrice Borgsen ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Ir Spectrum ◽  
Ion Pairs ◽  
Acetonitrile Solution ◽  
Trans Position ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Moisture Sensitive

The title compound [Na(15-crown-5)][C6H5–C(NSiMe3)2SnCl3F] is synthesized by the reaction of sodium fluoride with Ph—C(NSiMe3)2SnCl3 in acetonitrile solution in the presence of 15-crown-5 as white, moisture-sensitive crystals. The complex is characterized by its IR spectrum as well as by an X-ray structure determination. Space group P212121 Z = 4, 4897 observed independent reflexions, R = 0.094. Lattice dimensions at 20°C: a = 1065.7(2), b = 1431.0(2), c = 2325.6(3) pm. The compound forms ion pairs with a bent Sn–F–Na bridge (bonding angle 119.0(5)°) and distances Sn–F of 196(1) and Na–F of 232(1) pm. The tin atom is in a distorted octahedral environment defined by the two N atoms of the symmetrically coordinated amidinato ligand, by three chlorine atoms, and by the fluorine ligand; the latter is in a trans-position relative to one of the nitrogen atoms.

Synthese, Schwingungs- und Massenspektren von Et2Sn(O2PR2)2 (R = Me, Ph); Kristallstruktur von Et2Sn(O2PPh2)2 / Synthesis, Vibrational Spectra and Mass Spectra of Et2Sn(O2PR2)2 (R = Me, Ph); Crystal Structure of Et2Sn(O2PPh2)2

1996 ◽  
Vol 51 (8) ◽  
pp. 1111-1116 ◽  
Author(s):  
Abdel-Fattah Shihada ◽  
Frank Weller
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectra ◽  
Mass Spectra ◽  
Structure Refinement ◽  
Base Peak ◽  
Trans Position ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
In Trans

Et2Sn(O2PPh2)2 has been synthesized by the reaction of (Et2ClSn)2O with Ph2POCl in toluene and by the treatment of (Et2ClSn)2O or Et2SnCl2 with HO2PPh2 in methanol. The reaction of Et2SnO with HO2PMe2 in toluene was used to prepare Et2Sn(O2PMe2)2. An X-ray diffraction study of Et2Sn(O2PPh2)2 (space group P1̅, Z = 1, a = 559,9( 1), b = 983,7(1), c = 1262,4(l)pm, α = 81,85( 1 )°, β = 79,79( 1)°, γ = 75,00(1)°; structure refinement with 2662 independent reflections, R = 0.055) shows that the structure is polymeric and the O2PPh2 ligands function as double bridges between the tin atoms leading to the formation of centrosymmetric Sn2O4P2 eight-membered rings. The ethyl groups are in trans-position in the resulting octahedral environment around tin. The I. R. and Raman spectra of Et2Sn(O2PR2)2 (R = Ph, Me) have been discussed and assigned. The mass spectra of Et2Sn(O2PR2)2 show Sn(O2PR2)+ as the base peak.

Synthesis, IR and X-Ray Studies of Tetra(N,N′-tetraethyl-N″-benzoyl- phosphorictriamide)-tetra(μ-3-methoxo)-tetra(methanol)tetra-NickeI(II)

1998 ◽  
Vol 53 (8) ◽  
pp. 836-840 ◽  
Author(s):  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Anatoliy A. Kapshuk ◽  
Tatyana Yu. Sliva ◽  
Tadeusz Glowiak ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Metal Ion ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Methoxy Groups ◽  
Oxygen Atoms

Abstract A new nickel(II) complex with N,N′-tetraethyl-N″-benzoylphosphortriamide (HL = C6H5C(O)N(H)P(O)(NEt2)2) of composition Ni4L4(OCH3)4·(HOCH3)4 (1) has been synthe­ sized. The crystal and molecular structure of 1 has been determined from the X-Ray diffraction data (tetragonal, space group P4̄21c with a = 17.000(2) Å, c = 15.338(3) Å, Z = 2; R = 0.0399 for 1412 unique reflections). The structure is made up of cubane-like tetramers. In the corners of a cube there are 4 atoms of nickel and 4 atoms of oxygen of methoxy groups. The nickel atoms are characterized by a slightly distorted octahedral environment, which consists of three oxygen atoms of methoxy groups, carbonylic and phosphorylic oxygen atoms of the ligand L-, and an oxygen atom of a methanol molecule. The ligands L- coordinate to the metal ion forming a chelate via the oxygen atoms of carbonylic and phosphorylic groups.

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