Coordination compounds of Hg22+: The crystal structure of Tetrakis-(4-benzylpyridine)dimercury(I) perchlorate

1977 ◽  
Vol 30 (12) ◽  
pp. 2647 ◽  
Author(s):  
D Taylor
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Coordination Compounds ◽  
Three Dimensional ◽  
Structural Type ◽  
Donor Ligands ◽  
Hydrogen Atoms ◽  
L System ◽  
Fourier Techniques ◽  
The Stability

Crystals of tetrakis(4-benzylpyridine)dimercury(I) perchlorate, [Hg2(C12H11N)4]2, (ClO4)2, are monoclinic,a 11.729(1) Ǻ, b 10.896(1) Ǻ, c 18.392(2) Ǻ, β 96.20(1)�, space group P21/c with Z = 2 dimeric formula units. The structure was solved from three-dimensional diffractometer data (2744 independent reflections) by Patterson and Fourier techniques. Block-diagonal least-squares refinement of all non-hydrogen atoms converged at R 0.039, Rw 0.053. The mercury atoms in the centrosymmetric cation are three-coordinate with Hg-Hg 2.5084(7), Hg-N 2.227(7), 2.476(7) Ǻ. The Hg-Hg-N angles are 153.9� and 118.4� respectively. The perchlorate ions span the Hg-Hg bond with long Hg-O contacts of 2.899 and 3.026 Ǻ. This is a new structural type for dimercury(1) coordination compounds. The distortion of the usually linear L-Hg-Hg-L system with the increase in coordination number of the mercury atoms appears to be related to the stability of dimercury(I) complexes with moderately basic N-donor ligands.

scholarly journals Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
M. K. Dhatchaiyini ◽  
M. NizamMohideen ◽  
G. Rajasekar ◽  
A. Bhaskaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Number ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound K ◽  
Bond Lengths ◽  
Dimensional Network

In the tetraborate anion of the title compound, K2[B4O5(OH)4]·H2O, the bridging B—O bond lengths of the tetrahedral BO4 and the trigonal-planar BO3 units are slightly longer than the corresponding terminal B—OH bond lengths. The crystal structure is stabilized by intermolecular O—H...O, O—H...Owater and Owater—H...O hydrogen bonds, generating a three-dimensional network. The two potassium cations both show a coordination number of 9.

scholarly journals A cinnamaldehyde Schiff base ofS-(4-methylbenzyl) dithiocarbazate: crystal structure, Hirshfeld surface analysis and computational study

2017 ◽  
Vol 73 (4) ◽  
pp. 543-549 ◽  
Author(s):  
Enis Nadia Md Yusof ◽  
Mohamed I. M. Tahir ◽  
Thahira B. S. A. Ravoof ◽  
Sang Loon Tan ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Mirror Symmetry ◽  
Computational Study ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Hydrogen Atoms ◽  
Benzyl Substituent

The title dithiocarbazate ester (I), C18H18N2S2[systematic name: (E)-4-methylbenzyl 2-[(E)-3-phenylallylidene]hydrazinecarbodithioate, comprises an almost planar central CN2S2residue [r.m.s. deviation = 0.0131 Å]. The methylene(tolyl-4) group forms a dihedral angle of 72.25 (4)° with the best plane through the remaining non-hydrogen atoms [r.m.s. deviation = 0.0586 Å] so the molecule approximates mirror symmetry with the 4-tolyl group bisected by the plane. The configuration about both double bonds in the N—N=C—C=C chain isE; the chain has an alltransconformation. In the crystal, eight-membered centrosymmetric thioamide synthons, {...HNCS}2, are formedviaN—H...S(thione) hydrogen bonds. Connections between the dimersviaC—H...π interactions lead to a three-dimensional architecture. A Hirshfeld surface analysis shows that (I) possesses an interaction profile similar to that of a closely related analogue with anS-bound benzyl substituent, (II). Computational chemistry indicates the dimeric species of (II) connectedviaN—H...S hydrogen bonds is about 0.94 kcal mol−1more stable than that in (I).

scholarly journals Poly[(μ3-3,5-dinitrobenzoato-κ3O1:O1′:O3)(μ2-hydroxido-κ2O:O)copper(II)]

2014 ◽  
Vol 70 (3) ◽  
pp. m112-m113 ◽  
Author(s):  
B. Sinha ◽  
G. C. Dey ◽  
B. Sarkar ◽  
A. Roy ◽  
Seik Weng Ng ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Axial Position ◽  
Coordination Geometry ◽  
Carboxylate Ligands ◽  
The Stability

The title complex, [Cu{μ3-O2CC6H3(NO2)2-3,5}(μ-OH)]n, features zigzag chains in which successive pairs of CuIIatoms are connected by OH bridges and bidentate carboxylate ligands, leading to six-membered Cu(O)(OCO)Cu rings. The zigzag chains are connected into a three-dimensional architecture by Cu—O(nitro) bonds. The coordination geometry of the CuIIatom is square-pyramidal, with the axial position occupied by the nitro O atom, which forms the longer Cu—O bond. Bifurcated hydroxy–nitro O—H...O hydrogen bonds contribute to the stability of the crystal structure.

scholarly journals Crystal structures of chlorido[dihydroxybis(1-iminoethoxy)]arsanido-κ3 N,As,N′]platinum(II) and of a polymorph of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II)

2020 ◽  
Vol 76 (2) ◽  
pp. 180-185
Author(s):  
Nina R. Marogoa ◽  
D.V. Kama ◽  
Hendrik G. Visser ◽  
M. Schutte-Smith
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Donor Ligands ◽  
Intermolecular Hydrogen Bonding ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Oxygen Donor ◽  
Dimensional Network

Each central platinum(II) atom in the crystal structures of chlorido[dihydroxybis(1-iminoethoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido[dihydroxybis(1-iminopropoxy)arsanido-κ3 N,As,N′]platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitrogen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal–bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90 (13) and 106.98 (14)° for platinum and arsenic in (1), and 173.20 (14)° and 94.20 (9)° for (2), respectively. One intramolecular and four classical intermolecular hydrogen-bonding interactions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intramolecular and four classical intermolecular hydrogen-bonding interactions) is observed in the crystal structure of (2). Various π-interactions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225 (7) Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring molecules with distances of 3.7456 (4) and 3.7960 (6) Å. Likewise, weak π-interactions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213 (2) Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252 (12) Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013). Angew. Chem. Int. Ed. 52, 10749–10752] are discussed.

Two tautomers in one crystal: 4(5)-nitro-5(4)-methoxyimidazole

2004 ◽  
Vol 60 (2) ◽  
pp. 191-196 ◽  
Author(s):  
Maciej Kubicki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Imidazole Derivative ◽  
Hydrogen Atoms ◽  
X Ray ◽  
Dimensional Network ◽  
Hydrogen Bond Pattern ◽  
Annular Tautomerism

The case of prototropic annular tautomerism in an imidazole derivative has been found. The crystal structure contains a 50:50 mixture of two tautomers: 4-nitro-5-methoxyimidazole and 5-nitro-4-methoxyimidazole. The X-ray experiment actually shows the superposition of these compounds; it appears as if the structure is centrosymmetric and the N—H hydrogen atoms are disordered over two ring N atoms. Owing to the hydrogen-bond pattern, the values of their site occupation factors have to be exactly equal to 1/2. The molecules are connected into a three-dimensional network by means of N—H...N and C—H...O hydrogen bonds.

Coordination compounds of Hg22+: The crystal structure of Bis(acridine)dimercury(I) perchlorate

1976 ◽  
Vol 29 (4) ◽  
pp. 723 ◽  
Author(s):  
D Taylor
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Coordination Compounds ◽  
Three Dimensional ◽  
Mercury Atom ◽  
Steric Interaction ◽  
Space Group ◽  
X Ray ◽  
Metal Ligand ◽  
Block Diagonal

Crystals of bis(acridine)dimercury(1) perchlorate, [Hg2(C13H9N)2] (ClO4)2 are monoclinic, a = 10.629(1), b = 16.841(2), c = 7.142(1) �, β = 99.06(2)�, space group I2/m with Z = 2 dimeric formula units. The structure was solved from three-dimensional diffractometer X-ray data(1427 independent reflections), block-diagonal least-squares refinement of all atoms, including hydrogens, converging at R = 0.028. The mercury dimer, Hg-Hg 295177(5)�, is coordinated in the axial positions by the acridine molecules, Hg-N 2.150(5) �, the cation having C2h symmetry.There are also two long contacts from each mercury atom to oxygen atoms of the perchlorate ions, Hg-0 2.958(6) �. Evidence for a metal-ligand steric interaction is presented.

Crystal structure of antimony oxalate hydroxide, Sb(C2O4)OH

2010 ◽  
Vol 25 (1) ◽  
pp. 19-24 ◽  
Author(s):  
James A. Kaduk ◽  
Mark A. Toft ◽  
Joseph T. Golab
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rietveld Method ◽  
Three Dimensional ◽  
Hydroxyl Group ◽  
Hydroxyl Groups ◽  
X Ray ◽  
Oxalate Anion ◽  
Fourier Techniques ◽  
Difference Fourier

The crystal structure of Sb(C2O4)OH has been solved by charge flipping in combination with difference Fourier techniques using laboratory X-ray powder data exhibiting significant preferred orientation and refined by the Rietveld method. The compound crystallizes in Pnma with a=5.827 13(3), b=11.294 48 (10), c=6.313 77(3) Å, V=415.537(5) Å3, and Z=4. The crystal structure contains pentagonal pyramidal Sb3+ cations, which are bridged by hydroxyl groups to form zigzag chains along the a axis. Each oxalate anion chelates to two Sb in approximately the ab plane, linking the chains into a three-dimensional framework. The H of the hydroxyl group is probably disordered in order to form stronger more-linear hydrogen bonds. The highest energy occupied molecular orbitals are the Sb3+ lone pairs. The structure is chemically reasonable compared to other antimony oxalates and to Bi(C2O4)OH.

scholarly journals Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4H-1,2,3-oxathiazin-3-ide 2,2-dioxide)

2018 ◽  
Vol 74 (5) ◽  
pp. 698-702 ◽  
Author(s):  
Alexander Y. Nazarenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Number ◽  
Metal Ion ◽  
Ionic Radius ◽  
Three Dimensional ◽  
Interatomic Distances ◽  
Coordination Polyhedra ◽  
Dimensional Network ◽  
Out Of Plane

Both strontium and barium acesulfames, namely poly[aquabis(μ3-6-methyl-2,2-dioxo-1,2λ6,3-oxathiazin-4-olato)strontium(II)], [Sr(C4H4NO4S)2(H2O)]n, and the barium(II) analogue, [Ba(C4H4NO4S)2(H2O)]n, crystallize in nearly identical isotypic forms, with barium–oxygen interatomic distances being longer due to the larger ionic radius of the barium(II) ion. The coordination number of the metal ion is 9; the coordination polyhedra can be described as distorted capped square antiprisms [Johnson solidJ10; Johnson (1966).Can. J. Math.18, 169–200]. The conformation of the acesulafame ions is a distorted envelope with an out-of-plane S atom. Metal and acesulfame ions are assembled into infinitive chains along the [100] axis. These chains are connectedviahydrogen bonds into a three-dimensional network.

scholarly journals Crystal structure of bis(piperazin-1-ium-κN 4)bis(thiosulfato-κS)zinc(II) dihydrate

2018 ◽  
Vol 74 (2) ◽  
pp. 176-179
Author(s):  
Avijit Kumar Paul
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Tetrahedral Coordination ◽  
Metal Centre ◽  
Hydrogen Atoms

In the title compound, [Zn(C4H11N2)2(S2O3)2]·2H2O, two thiosulfate ions coordinate to the zinc(II) atom through the terminal S atoms. The tetrahedral coordination around the ZnII ion is completed by ligating to two N atoms of two piperazinium ions. The remaining two N atoms of the piperazinium ions are diprotonated and do not coordinate to the metal centre. In the crystal, however, they are involved in N—H...Owater and N—H...Osulfato hydrogen bonds. Together, a series of N—H...O and O—H...O hydrogen bonds, involving the O atoms of the thiosulfate ions and the water molecules as acceptors and the hydrogen atoms of the piperazinium ions and the water molecules as donors, form a three-dimensional supramolecuar structure. Within this framework there are a number of intra- and intermolecular C—H...O and C—H...S contacts present.

Sign in / Sign up

Export Citation Format

Share Document