scholarly journals Crystal structure of bis(3,5-dimethylpyridine-κN)bis(methanol-κO)bis(thiocyanato-κN)cobalt(II)

2016 ◽  
Vol 72 (12) ◽  
pp. 1824-1826 ◽  
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Direction Parallel ◽  
Thiocyanate Ligand ◽  
Discrete Complex

The asymmetric unit of the title complex, [Co(NCS)2(C7H9N)2(CH3OH)2], comprises of one CoIIcation located on a centre of inversion, one thiocyanate ligand, one methanol ligand and one 3,5-dimethylpyridine ligand. The CoIIcation is octahedrally coordinated by two terminal N-bonding thiocyanate anions, two methanol molecules and two 3,5-dimethylpyridine ligands into a discrete complex. The complex molecules are linked by intermolecular O—H...S hydrogen bonding into chains that elongate in the direction parallel to thebaxis.

scholarly journals Crystal structure of bis(isonicotinamide-κN1)bis(thiocyanato-κN)zinc

2016 ◽  
Vol 72 (7) ◽  
pp. 922-925 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Discrete Complex

The asymmetric unit of the title complex, [Zn(SCN)2(C6H6N2O)2], consists of one Zn2+cation located on a twofold rotation axis, as well as of one thiocyanate anion and one neutral isonicotinamide ligand, both occupying general positions. The Zn2+cation is tetrahedrally coordinated into a discrete complex by the N atoms of two symmetry-related thiocyanate anions and by the pyridine N atoms of two isonicotinamide ligands. The complexes are linked by intermolecular C—H...O and N—H...O, and weak intermolecular N—H...S hydrogen-bonding interactions into a three-dimensional network.

scholarly journals Crystal structure of di-μ-hydroxido-κ4O:O-bis[bis(acetylacetonato-κ2O,O′)cobalt(III)]

2015 ◽  
Vol 71 (8) ◽  
pp. 983-985 ◽  
Author(s):  
Casseday P. Richers ◽  
Jeffery A. Bertke ◽  
Thomas B. Rauchfuss
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Packing ◽  
Title Complex ◽  
Asymmetric Unit

The dinuclear title complex, [Co2(C5H7O2)4(μ-OH)2] or [Co(acac)2(μ-OH)]2, where acac is acetylacetonate, is centrosymmetric with half of the molecule per asymmetric unit. The molecular structure is a dimer of octahedrally coordinated CoIIIatoms with four O atoms from two chelating acac ligands and two O atoms from bridging hydroxide ligands. The crystal packing features weak C—H...O interactions between neighboring molecules, leading to the formation of chains normal to theacplane. The hydroxide H atoms are not involved in hydrogen bonding because of the bulky acac ligands. This is the first crystal structure reported of a dimeric transition metal bis-acac complex with OH−as the bridging group.

scholarly journals Bis(4-aminophenylhydroxamato-κ2 O,O′)copper(II) methanol disolvate

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Yansi Zhao ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Complex ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Bidentate Ligands ◽  
Metal Centre ◽  
Square Planar ◽  
Solvent Molecules

In the title complex, [Cu(C7H7N2O2)2]·2CH3OH, the metal centre is coordinated by two 4-aminophenylhydroxamate bidentate ligands, in a distorted square-planar geometry. The asymmetric unit is completed by two methanol solvent molecules, which are involved in hydrogen bonding with N—H functionalities of the free hydroxamate groups. The crystal structure also features N—H...O bonds formed by the NH2 groups, and O—H...O hydrogen bonds with the methanol solvent molecules as donors.

scholarly journals Crystal structure of tetraaquabis(thiocyanato-κN)nickel(II)–2,5-dimethylpyrazine (1/4)

2015 ◽  
Vol 71 (2) ◽  
pp. m18-m18 ◽  
Author(s):  
Stefan Suckert ◽  
Mario Wriedt ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Thiocyanate Ligand ◽  
Water Ligands ◽  
Discrete Complex

In the crystal structure of the title compound, [Ni(NCS)2(H2O)4]·4C6H8N2, the NiIIcations are coordinated by four water ligands and twotrans-coordinated terminallyN-bonded thiocyanate anions in a slightly distorted octahedral geometry. The asymmetric unit consists of a Ni2+cation located on a centre of inversion, two water molecules and one thiocyanate ligand, as well as two uncoordinated 2,5-dimethylpyrazine ligands in general positions. In the crystal, discrete complex molecules are linked into a three-dimensional network by O—H...N hydrogen bonding between the water H atoms and the 2,5-dimethylpyrazine N atoms.

scholarly journals Crystal structure of a third polymorph of tris(acetylacetonato-κ2O,O′)iron(III)

2015 ◽  
Vol 71 (12) ◽  
pp. m228-m229 ◽  
Author(s):  
Tessa M. Baker ◽  
Kevin M. Howard ◽  
William W. Brennessel ◽  
Michael L. Neidig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Intermolecular Interactions ◽  
Coordination Sphere ◽  
General Position ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Mass Ratio ◽  
Monoclinic System ◽  
Two Component

In the structure of the title complex, [Fe(C5H7O2)3] or Fe(acac)3, the asymmetric unit contains one molecule in a general position. The coordination sphere of the FeIIIatom is that of a slightly distorted octahedron. The crystal under investigation was a two-component pseudo-merohedral twin in the monoclinic system with a β angle close to 90°. Twin law [100/0-10/00-1] reduced theR1 residual [I> 2σ(I)] from 0.0769 to 0.0312, and the mass ratio of twin components refined to 0.8913 (5):0.1087 (5). In the crystal, molecules are arranged in sheets normal to [001]vianon-classical C—H...O hydrogen bonding. No other significant intermolecular interactions are observed. The structure is a new polymorph of Fe(acac)3and is isotypic with one polymorph of its gallium analog.

scholarly journals Crystal structure of diaquabis(2,6-dimethylpyrazine-κN)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine trisolvate

2015 ◽  
Vol 71 (12) ◽  
pp. m269-m270 ◽  
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Aqua Ligand ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Coordination Environment ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Discrete Complex

In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·3C6H8N2, the CoIIcation is coordinated by two terminallyN-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral N4O2coordination environment. The asymmetric unit contains one CoIIcation and three halves of 2,5-dimethylpyrazine solvate molecules, all entities being completed by inversion symmetry, as well as one thiocyanate anion, an aqua ligand and a 2,6-dimethylpyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-dimethylpyrazine molecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-dimethylpyrazine ligands. The complex molecules are linked by O—H...N hydrogen bonds between the water H atoms and the N atoms of 2,5-dimethylpyrazine solvent molecules, leading to a layered structure extending parallel to (100).

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.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

Aquabis(4-formylbenzoato)-κ2 O,O′;κO-(1,10-phenanthroline-κ2 N,N′)cadmium(II)

2007 ◽  
Vol 63 (11) ◽  
pp. m2694-m2694 ◽  
Author(s):  
Zhao-Peng Deng ◽  
Shan Gao ◽  
Li-Hua Huo ◽  
Hui Zhao
Keyword(s):  
Hydrogen Bonding ◽  
Layer Structure ◽  
Title Complex ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Trigonal Prismatic Coordination ◽  
Phenanthroline Ligand ◽  
Trigonal Prismatic

The CdII atom in the title complex, [Cd(C8H5O3)2(C12H8N2)(H2O)], is coordinated by three O atoms of two formylbenzoate ligands, two N atoms of a 1,10-phenanthroline ligand and one water molecule, giving rise to a trigonal–prismatic coordination geometry. Adjacent complex molecules are linked into a two-dimensional layer structure via hydrogen-bonding interactions.

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

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