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 bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N,N′]rhenium(I)

2014 ◽  
Vol 70 (12) ◽  
pp. 587-589 ◽  
Author(s):  
Kseniia Piletska ◽  
Konstantin V. Domasevitch ◽  
Alexander V. Shtemenko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Triazole Ligand ◽  
Additional Stabilization ◽  
Centrosymmetric Dimers

In the title compound, [ReBr(C13H10N4)(CO)3], the ReIatom has a distorted octahedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in afacconfiguration around the ReIatom. Mutual N—H...Br hydrogen bonds arrange molecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H...O and C—H...Br hydrogen bonds, as well as by slipped π–π stacking interactions [centroid-to-centroid distance = 3.785 (5) Å], defining a three-dimensional network.

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 diaquatris(1-ethyl-1H-imidazole-κN3)(sulfato-κO)nickel(II)

2016 ◽  
Vol 72 (3) ◽  
pp. 374-377 ◽  
Author(s):  
Tamas Holczbauer ◽  
Attila Domjan ◽  
Csaba Fodor
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Complex Molecules ◽  
Coordination Environment ◽  
Π Interactions ◽  
Dimeric Unit ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Imidazole Ligands

In the title complex, [Ni(SO4)(C5H8N2)3(H2O)2], the NiIIion is coordinated by three facial 1-ethyl-1H-imidazole ligands, one monodentate sulfate ligand and two water molecules in a slightly distorted octahedral coordination environment. In the crystal, two pairs of O—H...O hydrogen bonds link complex molecules, forming inversion dimers incorporatingR24(8),R22(8) andR22(12) rings. The dimeric unit also contains two symmetry-unique intramolecular O—H...O hydrogen bonds. In addition, weak C—H...O hydrogen bonds, weak C—H...π interactions and π–π interactions with a centroid–centroid distance of 3.560 (2) Å combine to form a three-dimensional network. One of the ethyl groups is disordered over two sets of sites with occupancies in the ratio 0.586 (7):0.414 (7).

scholarly journals Crystal structure of 2-methyl-1H-imidazol-3-ium aquatrichlorido(oxalato-κ2O,O′)stannate(IV)

2015 ◽  
Vol 71 (5) ◽  
pp. 520-522 ◽  
Author(s):  
Mouhamadou Birame Diop ◽  
Libasse Diop ◽  
Laurent Plasseraud ◽  
Thierry Maris
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Free Oxygen ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Oxalate Ligand ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment ◽  
Oxygen Atoms

The tin(IV) atom in the complex anion of the title salt, (C4H7N2)[Sn(C2O4)Cl3(H2O)], is in a distorted octahedral coordination environment defined by three chlorido ligands, an oxygen atom from a water molecule and two oxygen atoms from a chelating oxalate anion. The organic cation is linked through a bifurcated N—H...O hydrogen bond to the free oxygen atoms of the oxalate ligand of the complex [Sn(H2O)Cl3(C2O4)]−anion. Neighbouring stannate(IV) anions are linked through O—H...O hydrogen bonds involving the water molecule and the two non-coordinating oxalate oxygen atoms. In combination with additional N—H...Cl hydrogen bonds between cations and anions, a three-dimensional network is spanned.

scholarly journals Crystal structure of 4-(dimethylamino)pyridiniumcis-diaquabis(oxalato-κ2O,O′)ferrate(III) hemihydrate

2015 ◽  
Vol 71 (8) ◽  
pp. 934-936 ◽  
Author(s):  
Edith Dimitri Djomo ◽  
Frédéric Capet ◽  
Justin Nenwa ◽  
Michel M. Bélombé ◽  
Michel Foulon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Three Dimensional ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Ionic Components ◽  
Distorted Octahedral Coordination Environment

The FeIIIions in the hybrid title salt, (C7H11N2)[Fe(C2O4)2(H2O)2]·0.5H2O, show a distorted octahedral coordination environment, with four O atoms from two chelating oxalate dianions and two O atoms from twocisaqua ligands. The average Fe—O(oxalate) bond length [2.00 (2) Å] is shorter than the average Fe—O(water) bond length [2.027 (19) Å]. The ionic components are connectedviaintermolecular N—H...O and O—H...O hydrogen bonds into a three-dimensional network.

scholarly journals cis-Bromidobis(1,2-diaminoethane-κ2 N,N′)(ethylamine-κN)cobalt(III) dibromide

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
S. Manimaran ◽  
M. Manjunathan ◽  
E. Govindan ◽  
K. Sambathkumar ◽  
K. Anbalagan
Keyword(s):  
Hydrogen Bonds ◽  
Complex Cation ◽  
Three Dimensional ◽  
Title Complex ◽  
Coordination Environment ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Distorted Octahedral Coordination Environment

In the title complex, [CoBr(C2H7N)(C2H8N2)2]Br2, the CoIII centre has a distorted octahedral coordination environment, and is surrounded by four N atoms in the equatorial plane, with an additional N atom and the Br atom occupying the axial positions. The complex is isostructural with the Cl compound for which the X-ray structure has also been reported [Anbalagan, Mahalakshmi & Ganeshraja (2011). J. Mol. Struct. 1005, 45–52]. In the crystal, the complex cation and the two counter-anions are linked via N—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of bis(4-acetylanilinium) tetrachloridomercurate(II)

2015 ◽  
Vol 71 (12) ◽  
pp. m236-m237
Author(s):  
Manickam Thairiyaraja ◽  
Arumugam Elangovan ◽  
Ganesh Arivazhagan ◽  
Kuthambalam Selvaraju ◽  
Subbiah Thamotharan
Keyword(s):  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Bonding Interaction ◽  
Benzene Rings ◽  
Π Stacking Interaction ◽  
Considerable Distortion ◽  
Tetrahedral Anion

The structure of the title salt, (C8H10NO)2[HgCl4], is isotypic with that of the cuprate(II) and cobaltate(II) analogues. The asymmetric unit contains one 4-acetylanilinium cation and one half of a tetrachloridomercurate(II) anion (point group symmetrym). The Hg—Cl distances are in the range 2.4308 (7)–2.5244 (11) Å and the Cl—Hg—Cl angles in the range of 104.66 (2)–122.94 (4)°, indicating a considerable distortion of the tetrahedral anion. In the crystal, cations are linked by an intermolecular N—H...O hydrogen-bonding interaction, leading to aC(8) chain motif with the chains extending parallel to thebaxis. There is also a π–π stacking interaction with a centroid-to-centroid distance of 3.735 (2) Å between neighbouring benzene rings along this direction. The anions lie between the chains and interact with the cations through intermolecular N—H...Cl hydrogen bonds, leading to the formation of a three-dimensional network structure.

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 catena-Poly[potassium-di-μ-aqua-μ-4-(5-tetrazolio)pyridine]

2009 ◽  
Vol 65 (6) ◽  
pp. m671-m671
Author(s):  
Li-Jing Cui
Keyword(s):  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Water Molecules ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Distorted Octahedral Coordination Environment

The title compound, [K(C6H4N5)(H2O)2]n, was synthesized by hydrothermal reaction of KOH with 4-(5-tetrazolio)pyridine. The K atom has a distorted octahedral coordination environment and is coordinated by two axial N atoms from the organic ligand and by four water molecules in the equatorial plane. The molecules as a whole are located on crystallographic mirror planes; the K atom is also located on an inversion center. Both the water molecules and the organic ligands act as bridges to link symmetrically the adjacent K atoms into polymeric chains parallel to thecaxis. O—H...N hydrogen bonds involving the water O atoms and aromatic π–π interactions [centroid–centroid distance 3.80 (2) Å] between the pyridine and tetrazole rings build up an infinite three-dimensional network.

scholarly journals Crystal structure oftrans-diaquabis(nicotinamide-κN1)bis(4-nitrobenzoato-κO)manganese(II)

2016 ◽  
Vol 72 (5) ◽  
pp. 656-658
Author(s):  
Gülçin Şefiye Aşkın ◽  
Hacali Necefoğlu ◽  
Ali Murat Tonbul ◽  
Nefise Dilek ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Monodentate Ligand ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Distorted Octahedral ◽  
Π Stacking Interaction

The asymmetric unit of the title compound, [Mn(C7H4NO4)2(C6H6N2O)2(H2O)2], contains one MnIIatom, one 4-nitrobenzoate (NB) anion, one nicotinamide (NA) ligand and one water molecule; NA and NB each act as a monodentate ligand. The MnIIatom, lying on an inversion centre, is coordinated by four O atoms and two pyridine N atoms in a distorted octahedral geometry. The water molecules are hydrogen bonded to the carboxylate O atoms. The dihedral angle between the carboxylate group and the adjacent benzene ring is 24.4 (3)°, while the benzene and pyridine rings are oriented at a dihedral angle of 86.63 (11)°. In the crystal, O—H...O and N—H...O hydrogen bonds link the molecules, forming a layer parallel to theabplane. The layers are further linkedviaweak C—H...O hydrogen bonds, a π–π stacking interaction [centroid–centroid distance = 3.868 (2) Å] and a weak C—H...π interaction, resulting in a three-dimensional network.

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