scholarly journals Synthesis, crystal structure and thermal properties of bis(1,3-dicyclohexylthiourea-κS)bis(isothiocyanato-κN)cobalt(II)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Christoph Krebs ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Thermal Properties ◽  
Title Compound ◽  
Tetrahedral Coordination ◽  
Axis Direction ◽  
Rotation Axes ◽  
Dsc Measurements ◽  
Anionic Ligands ◽  
Stretching Vibration

Crystals of the title compound, [Co(NCS)2(C13H24N2S)2], were obtained by the reaction of Co(NCS)2 with 1,3-dicyclohexylthiourea in ethanol. Its crystal structure consists of discrete complexes that are located on twofold rotation axes, in which the CoII cations are tetrahedrally coordinated by two terminal N-bonded thiocyanate anions and two 1,3-dicyclohexylthiourea ligands. These complexes are linked via intermolecular N—H...S and C—H...S hydrogen bonding into chains, which elongate in the b-axis direction. These chains are closely packed in a pseudo-hexagonal manner. The CN stretching vibration of the thiocyanate anions located at 2038 cm−1 is in agreement with only terminal bonded anionic ligands linked to metal cations in a tetrahedral coordination. TG–DTA measurements prove the decomposition of the compound at about 227°C. DSC measurements reveal a small endothermic signal before decomposition at about 174°C, which might correspond to melting.

scholarly journals Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate

2015 ◽  
Vol 71 (12) ◽  
pp. m275-m276 ◽  
Author(s):  
Waqas Sethi ◽  
Heini V. Johannesen ◽  
Thorbjørn J. Morsing ◽  
Stergios Piligkos ◽  
Høgni Weihe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Nitrate Anions

The title compound, [Co2(L)2]3+·3NO3−[whereL= CH3C(CH2NHCH2CH2OH1/2)3], has been synthesized from the ligand 1,1,1-tris(2-hydroxyethylaminomethyl)ethane. The cobalt(III) dimer has an interesting and uncommon O—H...O hydrogen-bonding motif with the three bridging hydroxy H atoms each being equally disordered over two positions. In the dimeric trication, the octahedrally coordinated CoIIIatoms and the capping C atoms lie on a threefold rotation axis. The N atoms of two crystallographically independent nitrate anions also lie on threefold rotation axes. N—H...O hydrogen bonding between the complex cations and nitrate anions leads to the formation of a three-dimensional network structure. The compound is a racemic conglomerate of crystals containing either D or L molecules. The crystal used for this study is a D crystal.

catena-Poly[[dichlorozinc(II)]-μ-1,2-di-4-pyridylethylene-κ2 N:N′]

2007 ◽  
Vol 63 (3) ◽  
pp. m717-m718 ◽  
Author(s):  
Chuang-Ye Qin ◽  
Jing-Wei Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Polymeric Chain ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Tetrahedral Coordination

In the title compound, [ZnCl2(C12H10N2)] n , the ZnII ion displays a tetrahedral coordination geometry. Each 1,2-di-4-pyridylethylene ligand is located on an inversion center and bridges ZnII ions, forming a zigzag polymeric chain. Weak C—H...Cl hydrogen bonding is observed in the crystal structure.

scholarly journals Crystal structure and thermal properties of bis[μ-2-(methoxycarbonylhydrazinylidene)acetato-κ3 N 1,O:O]bis[diaqua(thiocyanato-κN)manganese(II)] tetrahydrate

2018 ◽  
Vol 74 (11) ◽  
pp. 1653-1657
Author(s):  
Subbiyan Poornima ◽  
Thathan Premkumar ◽  
Raymond J. Butcher ◽  
Subbaiah Govindarajan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Thermal Properties ◽  
Schiff Bases ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Centrosymmetric Dimer ◽  
Dimeric Unit ◽  
Carboxylate Anions

The title compound, [Mn2(C4H5N2O4)2(NCS)2(H2O)4]·4H2O (I), exists as a centrosymmetric dimer. Each dimeric unit consists of tridentate (O,O,N)-chelating Schiff bases with symmetry-maintained μ-O-bridged carboxylate anions, terminally bound thiocyanate anions, and ligated and solvated water molecules. The complex exhibits a distorted octahedron geometry and the centrosymmetric μ-O-bridged carboxylate anions connect the two manganese atoms to form an M 2O2 ring. In the crystal, the molecules are interlinked via strong N—H...O and O—H...O hydrogen-bonding contacts and weak O—H...S intermolecular interactions, forming a three-dimensional molecular network.

scholarly journals catena-Poly[[aqua(iminodiacetato-κ3 O,N,O′)nickel(II)]-μ-4,4′-dipyridylamine-κ2 N:N′]

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Abigail E. Meyers ◽  
Robert L. LaDuca
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Title Compound ◽  
Three Dimensional ◽  
Aqua Ligand ◽  
Polymer Chains ◽  
Axis Direction

In the title compound, [Ni(C4H5NO4)(C10H9N3)(H2O)] n , the NiII cations are octahedrally coordinated by an N atom donor and two O donor atoms belonging to a tridentate iminodiacetate (ida) ligand in a fac fashion, an O atom donor from an aqua ligand, and cis-disposed pyridyl N donor atoms from two 4,4′-dipyridylamine (dpa) ligands. The dpa ligands are disordered over two sets of sites in a 0.594 (7):0.406 (7) ratio. Through the bridging dpa ligands, [Ni(ida)(dpa)(H2O)] n zigzag coordination polymer chains are formed that are oriented along the b-axis direction. These chain motifs are anchored into the three-dimensional supramolecular crystal structure of the title compound by means of O—H...O and N—H...O hydrogen-bonding pathways.

scholarly journals Synthesis, crystal structure and thermal properties of poly[bis[μ2-3-(aminomethyl)pyridine]bis(thiocyanato)cobalt(II)]

2021 ◽  
Vol 77 (4) ◽  
pp. 428-432
Author(s):  
Christoph Krebs ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Differential Scanning Calorimetry ◽  
Hydrogen Bonding ◽  
Thermal Properties ◽  
Powder Diffraction ◽  
Title Compound ◽  
Three Dimensional ◽  
Scanning Calorimetry ◽  
X Ray ◽  
Dimensional Network

The reaction of Co(NCS)2 with 3-(aminomethyl)pyridine as coligand leads to the formation of crystals of the title compound, [Co(NCS)2(C6H8N2)2] n , that were characterized by single-crystal X-ray analysis. In the crystal structure, the CoII cations are octahedrally coordinated by two terminal N-bonded thiocyanate anions as well as two pyridine and two amino N atoms of four symmetry-equivalent 3-(aminomethyl)pyridine coligands with all pairs of equivalent atoms in a trans position. The CoII cations are linked by the 3-(aminomethyl)pyridine coligands into layers parallel to the ac plane. These layers are further linked by intermolecular N—H...S hydrogen bonding into a three-dimensional network. The purity of the title compound was determined by X-ray powder diffraction and its thermal behavior was investigated by differential scanning calorimetry and thermogravimetry.

scholarly journals Poly[diaqua[μ4-2-(carboxylatomethoxy)benzoato][μ2-2-(carboxylatomethoxy)benzoato]dicadmium(II)]

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Gabrielle J. Gaskin ◽  
Robert L. LaDuca
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Adjacent Layer ◽  
Axis Direction ◽  
Centroid Distance ◽  
Dimensional Crystal

In the title compound, [Cd2(C9H6O5)2(H2O)2] n , the crystallographically distinct CdII cations are coordinated in pentagonal–bipyramidal and octahedral fashions. The 2-(carboxymethoxy)benzoate (cmb) ligands connect the Cd atoms into [Cd2(cmb)2(H2O)2)] n coordination polymer ribbons that are oriented along the a-axis direction. Supramolecular layers are formed parallel to (01\overline{1}) by O—H...O hydrogen bonding between the ribbons. The supramolecular three-dimensional crystal structure of the title compound is then constructed by π–π stacking interactions with a centroid–centroid distance of 3.622 (2) Å between cmb ligands in adjacent layer motifs.

scholarly journals Crystal structure of di-μ-hydroxido-bis{[N,N′-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1–)]zinc}

2014 ◽  
Vol 70 (9) ◽  
pp. m320-m321
Author(s):  
Joshua A. Goodner ◽  
Brandon J. Powers ◽  
Douglas R. Powell ◽  
Lei Yang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Zinc Complex ◽  
Tetrahedral Coordination ◽  
Coordination Environment ◽  
Bond Lengths ◽  
Dimeric Unit ◽  
Distorted Tetrahedral Coordination

The title compound, [Zn2(C21H25N2)2(OH)2], is a binuclear zinc complex formed by two bidentate β-diketiminate (nacnac) ligands and two μ-hydroxide O atoms, bridging two mononuclear units into a centrosymmetric dimeric unit. Each Zn2+cation is coordinated by two N-donor atoms from the nacnac ligand and two O-donor atoms of hydroxide anions to give a distorted tetrahedral coordination environment. The Zn—O bond lengths are 1.9643 (13) and 2.0022 (14) Å, and the two Zn—N bond lengths are 1.9696 (14) and 1.9823 (14) Å. The distance between the two Zn2+cations in the dimer is 2.9420 (4) Å. Although hydroxide groups are present in the complex, no classical hydrogen-bonding interations are observed because of the bulky β-diketiminate ligands.

scholarly journals Crystal structure of bis{2,4-di-tert-butyl-6-[(isopropylimino)methyl]phenolato-κ2N,O}zinc dichloromethane monosolvate

2014 ◽  
Vol 70 (12) ◽  
pp. m390-m391
Author(s):  
Yuan-Zeng Hao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Title Compound ◽  
Tetrahedral Coordination ◽  
Complex Molecules ◽  
Hydrogen Bonding Interactions ◽  
Solvent Molecules ◽  
Imine Ligands ◽  
Distorted Tetrahedral Coordination

In the title compound, [Zn(C18H28NO)2]·CH2Cl2, the ZnIIatom isN,O-chelated by two crystallographically independent salicylaldehyde imine ligands, leading to a distorted tetrahedral coordination sphere. The dihedral angle between the planes of the two metallacycles is 88.69 (6)°. Intramolecular non-classical C—H...O hydrogen-bonding interactions are observed. In the crystal, the complex molecules stack into columns along theaaxis. Dichloromethane solvent molecules are situated in the voids of this arrangement.

scholarly journals Crystal structure, synthesis and thermal properties of tetrakis(4-benzoylpyridine-κN)bis(isothiocyanato-κN)iron(II)

2019 ◽  
Vol 75 (6) ◽  
pp. 917-920 ◽  
Author(s):  
Carsten Wellm ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Thermal Properties ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Structure Synthesis ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Fe(NCS)2(C12H9NO)4], consists of an FeII ion that is located on a centre of inversion, as well as two 4-benzoylpyridine ligands and one thiocyanate anion in general positions. The FeII ions are coordinated by two N-terminal-bonded thiocyanate anions and four 4-benzoylpyridine ligands into discrete complexes with a slightly distorted octahedral geometry. These complexes are further linked by weak C—H...O hydrogen bonds into chains running along the c-axis direction. Upon heating, this complex loses half of the 4-benzoylpyridine ligands and transforms into a compound with the composition Fe(NCS)2(4-benzoylpyridine)2, that might be isotypic to the corresponding MnII compound and for which the structure is unknown.

scholarly journals Crystal structure of di-μ-iodido-bis[bis(acetonitrile-κN)copper(I)]

2015 ◽  
Vol 71 (11) ◽  
pp. m189-m190
Author(s):  
Eva Rebecca Barth ◽  
Christopher Golz ◽  
Michael Knorr ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Crystal Packing ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Tetrahedral Coordination ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Distorted Tetrahedral Coordination

The title compound, [Cu2I2(CH3CN)4], exhibits a centrosymmetric Cu2I2core [Cu...Cu distance = 2.7482 (11) Å], the CuIatoms of which are further coordinated by four molecules of acetonitrile. The CuIatom has an overall distorted tetrahedral coordination environment evidenced byL—Cu—Langles (L= N or I) ranging from 100.47 (10) to 117.06 (2)°. The coordination geometries of the acetonitrile ligands deviate slightly from linearity as shown by Cu—N—C angles of 167.0 (2) and 172.7 (2)°. In the crystal, there are no significant hydrogen-bonding interactions present, so the crystal packing seems to be formed predominantly by van der Waals forces.

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