scholarly journals Crystal structure of tris[4-(dimethylamino)pyridinium] tris(oxalato-κ2O,O′)chromate(III) tetrahydrate

2015 ◽  
Vol 71 (11) ◽  
pp. 1408-1410 ◽  
Author(s):  
Noé Makon ma Houga ◽  
Frédéric Capet ◽  
Justin Nenwa ◽  
Gouet Bebga ◽  
Michel Foulon
Keyword(s):  
Complex Anion ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Additional Stabilization ◽  
Pyridinium Cations

In the title hybrid salt, (C7H11N2)3[Cr(C2O4)3]·4H2O, the central CrIIIion of the complex anion (point group symmetry 2) is coordinated by six O atoms from three chelating oxalate(2−) ligands in a slightly distorted octahedral coordination sphere. The Cr—O bond lengths vary from 1.9577 (11) to 1.9804 (11) Å, while the chelate O—Cr—O angles range from 82.11 (6) to 93.41 (5)°. The 4-(dimethylamino)pyridinium cations (one situated in a general position and one on a twofold rotation axis) are protonated at the pyridine N atoms. In the crystal, N—H...O and O—H...O hydrogen bonds link the cations and anions into a three-dimensional network. π–π interactions between the pyridine rings of adjacent cations provide additional stabilization of the crystal packing, with the closest centroid-to-centroid distances being 3.541 (1) and 3.575 (1) Å.

scholarly journals Crystal structure of bis[4-(dimethylamino)pyridinium] aquabis(oxalato)oxidovanadate(IV) dihydrate

2016 ◽  
Vol 72 (7) ◽  
pp. 1002-1005 ◽  
Author(s):  
Hiba Sehimi ◽  
Ichraf Chérif ◽  
Mohamed Faouzi Zid
Keyword(s):  
Hydrogen Bonds ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Oxalate Group ◽  
Pyridinium Cations

The title organic–inorganic hybrid salt, (C7H11N2)2[V(C2O4)2O(H2O)]·2H2O, shows a distorted octahedral coordination environment for the vanadium(IV) atom in the anion (point group symmetry 2), with four O atoms from two symmetry-related chelating oxalate dianions and two O atoms intransconfiguration from a coordinating water molecule and a terminal vanadyl O atom. In the crystal, (001) layers of cations and anions alternate along [001]. The anionic layers are built up by intermolecular O—H...O hydrogen bonds involving the coordinating and solvent water molecules. The cationic layers are linked to the anionic layersviaN—H...O hydrogen bonds between the pyridinium group and the non-coordinating O atoms of the oxalate group. The 4-(dimethylamino)pyridinium cations are also engaged in π–π stacking with their antiparallel neighbours [centroid-to-centroid distance = 3.686 (2) Å]. Considering all supramolecular features, a three-dimensional network structure is accomplished.

scholarly journals Crystal structure of an unknown solvate of bis(tetra-n-butylammonium) [N,N′-(4-trifluoromethyl-1,2-phenylene)bis(oxamato)-κ4O,N,N′,O′]nickelate(II)

2015 ◽  
Vol 71 (6) ◽  
pp. 578-581
Author(s):  
François Eya'ane Meva ◽  
Dieter Schaarschmidt ◽  
Tobias Rüffer
Keyword(s):  
Rotation Axis ◽  
Point Group ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Acta Cryst ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Square Planar ◽  
The Given

In the title compound, [N(C4H9)4]2[Ni(C11H3F3N2O6)] or [N(n-Bu)4]2[Ni(topbo)] [n-Bu =n-butyl and topbo = 4-trifluoromethyl-1,2-phenylenebis(oxamate)], the Ni2+cation is coordinated by two deprotonated amido N atoms and two carboxylate O atoms, setting up a slightly distorted square-planar coordination environment. The [Ni(topbo]2−anion lies on a twofold rotation axis. Due to an incompatibility with the point-group symmetry of the complete molecule, orientational disorder of the CF3group is observed. The tetrahedral ammonium cations and the anion are linked by weak intermolecular C—H...O and C—H...F hydrogen-bonding interactions into a three-dimensional network. A region of electron density was treated with the SQUEEZE procedure inPLATON[Spek (2015).Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule.

scholarly journals New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K

2019 ◽  
Vol 75 (9) ◽  
pp. 1386-1388
Author(s):  
Trpimir Ivšić ◽  
David Wenhua Bi ◽  
Arnaud Magrez
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Structural Parameters ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Hydrogen Atoms ◽  
Dimensional Network ◽  
Structure Determinations ◽  
Insight Into

The crystal structure of [ZnCl2(NH3)2], diamminedichloridozinc, was re-investigated at low temperature, revealing the positions of the hydrogen atoms and thus a deeper insight into the hydrogen-bonding scheme in the crystal packing. In comparison with previous crystal structure determinations [MacGillavry & Bijvoet (1936). Z. Kristallogr. 94, 249–255; Yamaguchi & Lindqvist (1981). Acta Chem. Scand. 35, 727–728], an improved precision of the structural parameters was achieved. In the crystal, tetrahedral [Zn(NH3)2Cl2] units (point-group symmetry mm2) are linked through N—H...Cl hydrogen bonds into a three-dimensional network.

scholarly journals Diaquabis(1H-imidazole-4-carboxylato-κ2N3,O)cobalt(II)

2013 ◽  
Vol 69 (2) ◽  
pp. m94-m94 ◽  
Author(s):  
Beñat Artetxe ◽  
Leire San Felices ◽  
Aroa Pache ◽  
Santiago Reinoso ◽  
Juan M. Gutiérrez-Zorrilla
Keyword(s):  
Crystal Packing ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Carboxylate Ligands ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

The title compound, [Co(C4H3N2O2)2(H2O)2], contains a CoIIcation on a twofold rotation axis, exhibiting a distorted octahedral coordination geometry. The equatorial plane is formed by twoN,O-bidentate 1H-imidazole-4-carboxylate ligands and the axial positions are occupied by water molecules. The crystal packing consists of a three-dimensional network stabilized by O—H...O and N—H...O hydrogen bonds, together with weak π–π interactions [centroid–centroid distance = 3.577 (2) Å] between the imidazole rings.

scholarly journals (μ-Methylenediphosphonato-κ4 O,O′:O′′,O′′′)bis[(ethylenediamine-κ2 N,N′)palladium(II)] tetrahydrate

2018 ◽  
Vol 74 (12) ◽  
pp. 1838-1841
Author(s):  
Viktoriya V. Dyakonenko ◽  
Alexandra N. Kozachkova ◽  
Natalia V. Tsaryk ◽  
Vasily I. Pekhnyo ◽  
Ruslan V. Lavryk
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Point Group ◽  
Three Dimensional ◽  
Water Layer ◽  
Group Symmetry ◽  
Water Molecules ◽  
Dimensional Network ◽  
Binuclear Molecule ◽  
Square Planar

The title compound, [Pd2(C2H8N2)2(CH2O6P2)]·4H2O, comprises of a binuclear molecule (point group symmetry 2), with a twofold rotation axis running through the central C atom of the methylenediphosphonate (MDP) anion. The PdII atom has a square-planar coordination environment defined by the N atoms of a bidentate ethylenediamine (en) ligand and two O atoms of the bridging MDP anion. In the crystal structure, metal complexes are arranged in layers parallel (001) and are sandwiched between layers containing disordered water molecules of crystallization. Extensive intralayer hydrogen bonds of the type N—H...O in the metal complex layer and O—H...O in the water layer, as well as O—H...O hydrogen bonds between the two types of layers, lead to the formation a three-dimensional network structure. The two lattice water molecules are each equally disordered over two positions.

scholarly journals Bis(3-aminopyrazine-2-carboxylato-κ2N1,O)diaquacobalt(II)

2013 ◽  
Vol 69 (2) ◽  
pp. m129-m130 ◽  
Author(s):  
Rafika Bouchene ◽  
Sofiane Bouacida ◽  
Fadila Berrah ◽  
Ratiba Belhouas ◽  
Hocine Merazig
Keyword(s):  
Crystal Packing ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Amino Groups ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Carboxylate Anions ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment

In the title compound, [Co(C5H4N3O2)2(H2O)2], the CoIIatom is situated on a twofold rotation axis and isN,O-chelated by two 3-aminopyrazine-2-carboxylate anions and additionally bonded to the O atoms of two water molecules, leading to a slightly distorted octahedral coordination environment. The crystal packing is dominated by intermolecular O—H...O, O—H...N and N—H...O hydrogen bonding involving the water molecules and amino groups as donors and carboxylate O atoms, as well as the non-coordinating heterocyclic N atoms as acceptors, resulting in a three-dimensional network. An intramolecular N—H...O hydrogen bond is also observed.

scholarly journals Crystal structure of di-μ-aqua-μ-(pyrazineN,N′-dioxide)-κ2O:O-bis(diaquasodium) tetraphenylborate dihydrate pyrazineN,N′-dioxide monosolvate

2015 ◽  
Vol 71 (12) ◽  
pp. 1467-1470
Author(s):  
Elaine P. Boron ◽  
Kelsey K. Carter ◽  
Jacqueline M. Knaust
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Coordination Networks ◽  
Dimensional Network ◽  
Solvent Molecules ◽  
Water Ligands

The search for novel lanthanide coordination networks using pyrazineN,N′-dioxide (pzdo, C4H4N2O2) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na2(C4H4N2O2)(H2O)6][B(C6H5)4]2·C4H4N2O2·2H2O. The crystal structure is comprised of discrete [{Na(H2O)2}2(μ-H2O)2(μ-pzdo)]2+cations and tetraphenylborate anions, as well as pzdo and H2O solvent molecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related NaIatoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H...O hydrogen bonds link the dinuclear cation and solvent pzdo molecules (point-group symmetry -1) into rectangular grid-like layers parallel to thebcplane. Additional C—H...O, O—H...O, C—H...π and O—H...π interactions link the anion and solvent water molecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H...π and O—H...π hydrogen bonds involving the tetraphenylborate anion.

scholarly journals Crystal structure of an unknown solvate of dodecakis(μ2-alaninato-1:2κ2O:N,O)cerium(III)hexanickel(II) aquatris(hydroxido-κO)tris(nitrato-κ2O,O′)cerate(III)

2015 ◽  
Vol 71 (10) ◽  
pp. m183-m184 ◽  
Author(s):  
Stanislav I. Bezzubov ◽  
Vladimir D. Doljenko ◽  
Andrei V. Churakov ◽  
Irina S. Zharinova ◽  
Yuri M. Kiselev
Keyword(s):  
Water Molecule ◽  
Rotation Axis ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Acta Cryst ◽  
Water Solvent ◽  
Dimensional Network ◽  
Metal Organic ◽  
Solvent Molecules

The chiral title compound, [CeNi6(C3H6NO2)12][Ce(NO3)3(OH)3(H2O)], comprises a complex heterometallic Ni/Ce cation and a homonuclear Ce anion. Both the cation and anion exhibit point group symmetry 3. with the CeIIIatom situated on the threefold rotation axis. The cation metal core consists of six NiIIatoms coordinated in a slightly distorted octahedral N2O4configuration by N and O atoms of 12 deprotonated L-alaninate ligands exhibiting both bridging and chelating modes. This metal–organic coordination motif encapsulates one CeIIIatom that shows an icosahedral coordination by the O-donor atoms of the L-alaninate ligands, with Ce—O distances varying in the range 2.455 (5)–2.675 (3) Å. In the anion, the central CeIIIion is bound to three bidentate nitrate ligands, to three hydroxide ligands and to one water molecule, with Ce—O distances in the range 2.6808 (19)–2.741 (2) Å. The H atoms of the coordinating water molecule are disordered over three positions due to its location on a threefold rotation axis. Disorder is also observed in fragments of two L-alaninate ligands, with occupancy ratios of 0.608 (14):0.392 (14) and 0.669 (8):0.331 (8), respectively, for the two sets of sites. In the crystal, the complex cations and anions assemble through O—H...O and N—H...O hydrogen bonds into a three-dimensional network with large voids of approximately 1020 Å3. The contributions of highly disordered ethanol and water solvent molecules to the diffraction data were removed with the SQUEEZE procedure [Spek (2015).Acta Cryst.C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown amount of these solvent molecules.

scholarly journals Crystal structure ofcatena-poly[[diaquabis(4-formylbenzoato-κO1)cobalt(II)]-μ-pyrazine-κ2N:N′]

2015 ◽  
Vol 71 (4) ◽  
pp. 339-341 ◽  
Author(s):  
Gülçin Şefiye Aşkın ◽  
Fatih Çelik ◽  
Nefise Dilek ◽  
Hacali Necefoğlu ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Polymeric Compound ◽  
Distorted Octahedral Coordination ◽  
Linear Chains ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric compound, [Co(C8H5O3)2(C4H4N2)(H2O)2]n, the CoIIatom is located on a twofold rotation axis and has a slightly distorted octahedral coordination sphere. In the equatorial plane, it is coordinated by two carboxylate O atoms of two symmetry-related monodentate formylbenzoate anions and by two N atoms of two bridging pyrazine ligands. The latter are bisected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water molecules. In the formylbenzoate anion, the carboxylate group is twisted away from the attached benzene ring by 7.50 (8)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 64.90 (4)°. The pyrazine ligands bridge the CoIIcations, forming linear chains running along theb-axis direction. Strong intramolecular O—H...O hydrogen bonds link the water molecules to the carboxylate O atoms. In the crystal, weak O—Hwater...Owaterhydrogen bonds link adjacent chains into layers parallel to thebcplane. The layers are linkedviaC—Hpyrazine...Oformylhydrogen bonds, forming a three-dimensional network. There are also weak C—H...π interactions present.

(Hexafluorosilicato-κ2F,F′)bis(1,10-phenanthroline-κ2N,N′)zinc(II) methanol monosolvate

2013 ◽  
Vol 69 (10) ◽  
pp. 1112-1115 ◽  
Author(s):  
Rüdiger W. Seidel ◽  
Christina Dietz ◽  
Jürgen Breidung ◽  
Richard Goddard ◽  
Iris M. Oppel
Keyword(s):  
Density Functional ◽  
Crystal Packing ◽  
Point Group ◽  
Solvent Molecule ◽  
Title Complex ◽  
Group Symmetry ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

The title compound, [Zn(SiF6)(C12H8N2)2]·CH3OH, contains a neutral heteroleptic tris-chelate ZnIIcomplex,viz.[Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate molecularC2point-group symmetry. The ZnIIcation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a ZnIIcomplex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%).

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