scholarly journals Synthesis, crystal structure and magnetism of [Cu(cyclam)Ni(NCS)4(H2O)2]n

2017 ◽  
Vol 16 (1) ◽  
pp. 68-75 ◽  
Author(s):  
Ivana Kočanová ◽  
Juraj Kuchár ◽  
Martin Orendáč ◽  
Roman Boča ◽  
Juraj Černák
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Exchange Interaction ◽  
Equatorial Plane ◽  
Supramolecular Structure ◽  
Hydrogen Bonding Interactions ◽  
Weak Exchange ◽  
Ferromagnetic Nature ◽  
Weak Exchange Interaction ◽  
In Trans

Abstract[Cu(cyclam)Ni(NCS)4(H2O)2]n(1) (cyclam = 1,4,8,11-tetraazacyclodecane) exhibits bent 1D crystal structure in which paramagnetic Cu(II) and Ni(II) atoms are linked by bridging μ2-NCS- ligands. The Cu(II) atom exhibit tetragonally elongated hexacoordination in the 4+2 form with one tetradentate macrocyclic cyclam ligands placed in the equatorial plane while the axial positions are occupied by S atoms from bridging NCS- ligands. The Ni(II) atom in NiN4O2donor set is deformed octahedrally coordinated by four isothiocyanato ligands among which two in trans positions are bridging in nature; additional aqua ligands occupy the remaining two positions in trans arrangement. Weak hydrogen bonding interactions of the O-H···S type links the formed chains into 3D supramolecular structure. The magnetism of 1 is dominated by a sizable single-ion anisotropy DNi/hc = +7.49 cm-1along with a weak exchange interaction of the ferromagnetic nature.

scholarly journals Crystal structure of (S)-sec-butylammoniumL-tartrate monohydrate

2017 ◽  
Vol 73 (5) ◽  
pp. 716-719
Author(s):  
Ernlie A. Publicover ◽  
Jennifer Kolwich ◽  
Darcie L. Stack ◽  
Alyssa J. Doué ◽  
Kai E. O. Ylijoki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Tartaric Acid ◽  
Supramolecular Structure ◽  
Interstitial Water ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Molecular Salt

The title hydrated molecular salt, C4H12N+·C4H5O6−·H2O, was prepared by deprotonation of enantiopure L-tartaric acid with racemicsec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with L-tartaric acid. Thesec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH2bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H...O and N—H...O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure.

scholarly journals Crystal structure of poly[bis(μ-2-amino-4,5-dicyanoimidazolato-κ2N1:N3)-trans-bis(N,N′-dimethylformamide-κO)cadmium]

2015 ◽  
Vol 71 (9) ◽  
pp. 1022-1025 ◽  
Author(s):  
Jin-Li Zhu ◽  
Guo -Qing Jiang ◽  
Xiao-Qing Guo ◽  
Yan-Feng Tang ◽  
Miao Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Equatorial Plane ◽  
Rotation Axis ◽  
Amino Group ◽  
Hydrogen Bonding Interactions ◽  
Primary Amino ◽  
Cyano Groups

In the title structure, [Cd(C5H2N5)2(C3H7NO)2]nor [Cd(adci)2(DMF)2]n, the Cd2+ion is located on a twofold rotation axis and is six-coordinated in a CdN4O2manner by four imidazole N atoms of four symmetry-related 2-amino-4,5-dicyanoimidazolate (adci) anions in the equatorial plane and by two O atoms of symmetry-relatedN,N-dimethylformamide (DMF) ligands in axial positions. The adci−anions bridge adjacent Cd2+ions [shortest Cd...Cd separation = 6.733 (3) Å] into a layered coordination polymer extending parallel to (001). The primary amino group and the non-coordinating cyano groups of adci−anions are involved in hydrogen-bonding interactions with DMF ligands to stabilize the crystal structure.

scholarly journals Crystal structure of poly[[μ2-diaqua-diaqua-μ2-L-proline-κ2O:O′-strontium] dibromide]

2015 ◽  
Vol 71 (10) ◽  
pp. 1199-1202 ◽  
Author(s):  
Selladurai Sathiskumar ◽  
Thangavelu Balakrishnan ◽  
Kandasamy Ramamurthi ◽  
Subbiah Thamotharan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Direct Interaction ◽  
Water Molecules ◽  
Zwitterionic Form ◽  
Hydrogen Bonding Interactions

In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2}n, the proline molecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The SrIIion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxylate O atoms of the proline ligands, with two bridging [Sr—O range = 2.524 (4)–2.800 (5) Å]. In the crystal, there is no direct interaction between the proline molecules. However, the proline and water molecules associate with the bromide counter-anions through a number of intermolecular O—H...Br and N—H...Br hydrogen-bonding interactions, giving a three-dimensional supramolecular structure.

Metal complexes with chloride and triazole-based ligands: investigation of a well-resolved up–up–down–down (uudd) cyclic water tetramer andX—H...Cl (X= O and C) hydrogen-bonding interactions

2012 ◽  
Vol 68 (12) ◽  
pp. m344-m346 ◽  
Author(s):  
Jian-Hua Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Title Complex ◽  
Supramolecular Network ◽  
Inversion Symmetry ◽  
Hydrogen Bonding Interactions ◽  
Cobalt Compounds

The crystal structure of the title complex,trans-dichloridotetrakis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]copper(II) hexahydrate, [CuCl2(C11H11N3O)4]·6H2O, is isomorphous with that of the corresponding nickel and cobalt compounds. The complex has crystallographic inversion symmetry with the CuIIatom on an inversion centre. Each CuIIatom is six-coordinated by one N atom from each of the four 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in the equatorial plane and by two chloride ligands in axial positions. The structure includes a centrosymmetric irregular up–up–down–down (uudd) water tetramer cluster and O—H...Cl hydrogen bonds. Intermolecular C—H...Cl hydrogen bonds exist between adjacent molecules, resulting in a three-dimensional supramolecular network.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

scholarly journals Crystal structure of bis(μ2-4-tert-butyl-2-formylphenolato)-1:2κ3O1,O2:O1;3:4κ3O1,O2:O1-bis(4-tert-butyl-2-formylphenolato)-2κ2O1,O2;4κ2O1,O2-di-μ3-methoxido-1:2:3κ3O;1:3:4κ3O-di-μ2-methoxido-1:4κ2O;2:3κ2O-tetracopper(II)

2015 ◽  
Vol 71 (3) ◽  
pp. 324-326
Author(s):  
Bernhard Eberhard Christian Bugenhagen ◽  
Marc Heinrich Prosenc
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Title Compound ◽  
Coordination Environment ◽  
Dinuclear Copper ◽  
Tert Butyl ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The structure of the title compound, [Cu4(CH3O)4(C11H13O2)4], consists of dimeric dinuclear copper(II) complexes oriented around a centre of inversion. Within each dinuclear fragment, the two CuIIatoms are in a distorted square-planar coordination sphere. Two neighbouring fragments are linked by four apical Cu—O contacts, yielding an overall square-pyramidal coordination environment for each of the four CuIIatoms. The molecules are arranged in layers parallel to (101). Non-classical C—H...O hydrogen-bonding interactions are observed between the layers.

Study on Novel Structure of Praseodymium Complex, C5H13O11Pr

2013 ◽  
Vol 834-836 ◽  
pp. 515-518
Author(s):  
Hai Xing Liu ◽  
Qing Liu ◽  
Ting Ting Huang ◽  
Yang Xu ◽  
Lin Tong Wang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Hydrothermal Reaction ◽  
Crystal Packing ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Novel Structure ◽  
Praseodymium Complex

A novel praseodymium complex C5H13O11Pr has been synthesized from hydrothermal reaction and the crystal structure has been determined by means of single-crystal X-ray diffraction. The Pr1 atom is nine coordinated by nine O atoms. The crystal packing is stabilized by O-H...O hydrogen bonding interactions.

scholarly journals Aqua(azido)[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamido-κ3N,N′,N′′]copper(II)

2013 ◽  
Vol 69 (11) ◽  
pp. m598-m599
Author(s):  
Sandra Bruda ◽  
Mark M. Turnbull ◽  
Jan L. Wikaira
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Mean Deviation ◽  
Water Molecules ◽  
Air Oxidation ◽  
Apical Position ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Planar Array

The title compound, [Cu(C12H8N3O2)(N3)(H2O)], was formed by the air oxidation of 2-(aminomethyl)pyridine in 95% ethanol in the presence of copper(II) nitrate and sodium azide with condensation of the resulting picolinamide molecules to generate the imide moiety. The CuIIion has a square-pyramidal coordination sphere, the basal plane being occupied by four N atoms [two pyridine (py) N atoms, the imide N atom and an azide N atom] in a nearly planar array [mean deviation = 0.048 (6) Å] with the CuIIion displaced slightly from the plane [0.167 (5) Å] toward the fifth ligand. The apical position is occupied by a coordinating water molecule [Cu—O = 2.319 (4) Å]. The crystal structure is stabilized by hydrogen-bonding interactions between the water molecules and carbonyl O atoms. The inversion-related square-pyramidal complex molecules pack base-to-base with long Cu...Npycontact distances of 3.537 (9) Å, preventing coordination of a sixth ligand.

Redetermination of trans-diaquabis(picolinato-κ2 N,O)cobalt(II) dihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. m796-m798 ◽  
Author(s):  
Zerrin Heren ◽  
Cem Cüneyt Ersanlı ◽  
Cem Keser ◽  
Nazan Ocak Ískeleli
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Center ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral

The crystal structure of the title compound, [Co(C6H4NO2)2(H2O)2]·2H2O, has been reinvestigated with improved precision [previous reports: Chang et al. (1972). J. Coord. Chem. 2, 31–34; Lumme et al. (1969). Suom. Kemistil. B, 42, 270]. In the title compound, the Co atom is located on an inversion center and its coordination can be described as slightly distorted octahedral, equatorially trans-coordinated by two N and O atoms of two picolinate ligands and axially coordinated by two O atoms of the water molecules. Intermolecular O—H...O and C—H...O hydrogen-bonding interactions result in the formation of an intricate three-dimensional network.

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