scholarly journals Structure of a dinuclear cadmium complex with 2,2′-bipyridine, monodentate nitrate and 3-carboxy-6-methylpyridine-2-carboxylate ligands: intramolecular carbonyl(lone pair)...π(ring) and nitrate(π)...π(ring) interactions

2015 ◽  
Vol 71 (8) ◽  
pp. 890-894
Author(s):  
Juan Granifo ◽  
Sebastián Suarez ◽  
Ricardo Baggio
Keyword(s):  
Complex Molecule ◽  
Solvent Molecule ◽  
Lone Pair ◽  
Dinuclear Complex ◽  
Cadmium Complex ◽  
Nitrate Anion ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Carboxylate Ligands ◽  
Solvent Molecules

The centrosymmetric dinuclear complex bis(μ-3-carboxy-6-methylpyridine-2-carboxylato)-κ3N,O2:O2;κ3O2:N,O2-bis[(2,2′-bipyridine-κ2N,N′)(nitrato-κO)cadmium] methanol monosolvate, [Cd2(C8H6NO4)2(NO3)2(C10H8N2)2]·CH3OH, was isolated as colourless crystals from the reaction of Cd(NO3)2·4H2O, 6-methylpyridine-2,3-dicarboxylic acid (mepydcH2) and 2,2′-bipyridine in methanol. The asymmetric unit consists of a CdIIcation bound to a μ-κ3N,O2:O2-mepydcH−anion, anN,N′-bidentate 2,2′-bipyridine group and anO-monodentate nitrate anion, and is completed with a methanol solvent molecule at half-occupancy. The Cd complex unit is linked to its centrosymmetric image through a bridging mepydcH−carboxylate O atom to complete the dinuclear complex molecule. Despite a significant variation in the coordination angles, indicating a considerable departure from octahedral coordination geometry about the CdIIatom, the Cd—O and Cd—N distances in this complex are surprisingly similar. The crystal structure consists of O—H...O hydrogen-bonded chains parallel toa, further bound by C—H...O contacts alongbto form planar two-dimensional arrays parallel to (001). The juxtaposed planes form interstitial columnar voids that are filled by the methanol solvent molecules. These in turn interact with the complex molecules to further stabilize the structure. A search in the literature showed that complexes with the mepydcH−ligand are rare and complexes reported previously with this ligand do not adopt the μ-κ3coordination mode found in the title compound.

scholarly journals Crystal structure oftrans-diaquabis(1H-pyrazole-3-carboxylato-κ2N,O)copper(II) dihydrate

2015 ◽  
Vol 71 (12) ◽  
pp. m232-m233 ◽  
Author(s):  
Santiago Reinoso ◽  
Beñat Artetxe ◽  
Oscar Castillo ◽  
Antonio Luque ◽  
Juan M. Gutiérrez-Zorrilla
Keyword(s):  
Hydrogen Bonds ◽  
Complex Molecule ◽  
Three Dimensional ◽  
Organic Ligands ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Carboxylate Ligands ◽  
Dimensional Network ◽  
Additional Hydrogen

In the title compound, [Cu(C4H3N2O2)2(H2O)2]·2H2O, the CuIIion is located on an inversion centre and exhibits an axially elongated octahedral coordination geometry. The equatorial plane is formed by twoN,O-bidentate 1H-pyrazole-3-carboxylate ligands in atransconfiguration. The axial positions are occupied by two water molecules. The mononuclear complex molecules are arranged in layers parallel to theabplane. Each complex molecule is linked to four adjacent species through intermolecular O—H...O and N—H...O hydrogen bonds that are established between the coordinating water molecules and carboxylate O atoms or protonated N atoms of the organic ligands. These layers are further connected into a three-dimensional network by additional hydrogen bonds involving solvent water molecules and non-coordinating carboxylate O atoms.

scholarly journals Di-μ-chlorido-bis[(2,2′-bipyridine-5,5′-dicarboxylic acid-κ2N,N′)chloridocopper(II)] dimethylformamide tetrasolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m73-m74 ◽  
Author(s):  
Sigurd Øien ◽  
David Stephen Wragg ◽  
Karl Petter Lillerud ◽  
Mats Tilset
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Cooh Group ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Centroid Distance ◽  
Solvent Molecules ◽  
Hydrogen Bonded

In the title compound, [Cu2Cl4(C12H8N2O4)2]·4C3H7NO, which contains a chloride-bridged centrosymmetric CuIIdimer, the CuIIatom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2′-bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethylformamide molecules, one is hydrogen bonded to a single –COOH group, while one links two adjacent –COOH groupsviaa strong accepted O—H...O and a weak donated C(O)—H...O hydrogen bond. Two of these last molecules and the two –COOH groups form a centrosymmetric hydrogen-bonded ring in which the CH=O and the –COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the CuIIcomplex molecules and the dimethylformamide solvent molecules into infinite chains along [-111]. Slipped π–π stacking interactions between two centrosymmetric pyridine rings (centroid–centroid distance = 3.63 Å) contribute to the coherence of the structure along [0-11].

scholarly journals Chiral crystallization of a zinc(II) complex

2021 ◽  
Vol 77 (5) ◽  
pp. 542-546
Author(s):  
Shabana Noor ◽  
Shintaro Suda ◽  
Tomoyuki Haraguchi ◽  
Fehmeeda Khatoon ◽  
Takashiro Akitsu
Keyword(s):  
Hydrogen Bond ◽  
Schiff Base ◽  
Complex Molecule ◽  
Solvent Molecule ◽  
Hirshfeld Surface ◽  
Supramolecular Interactions ◽  
Orthorhombic Space Group ◽  
Complex Molecules ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The compound, {6,6′-dimethoxy-2,2′-[(4-azaheptane-1,7-diyl)bis(nitrilomethanylidyne)]diphenolato}zinc(II) methanol monosolvate, [Zn(C22H27N3O4)]·CH3OH, at 298 K crystallizes in the orthorhombic space group Pna21. The Zn atom is coordinated by a pentadentate Schiff base ligand in a distorted trigonal–bipyramidal N3O2 geometry. The equatorial plane is formed by the two phenolic O and one amine N atom. The axial positions are occupied by two amine N atoms. The distorted bipyramidal geometry is also supported by the trigonality index (τ), which is found to be 0.85 for the molecule. In the crystal, methanol solvent molecule is connected to the complex molecule by an O—H...O hydrogen bond and the complex molecules are connected by weak supramolecular interactions, so achiral molecules generate a chiral crystal. The Hirshfeld surface analysis suggests that H...H contacts account for the largest percentage of all interactions.

scholarly journals {6,6′-Dimethyl-2,2′-bis[(2-oxidobenzylidene)amino]-1,1′-biphenyl-κ4O,N,N′,O′}bis(propan-2-olato-κO)titanium(IV)n-hexane hemisolvate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
Liang Chen ◽  
Xuebin Deng
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Crystal Complex ◽  
Solvent Molecules

The mononuclear TiIVtitle complex, [Ti(C28H22N2O2)(C3H7O)2]·0.5C6H14, crystallizes as ann-hexane hemisolvate. The TiIVatom is coordinated by a dianionic tetradentate biphenyl Schiff base ligand and two O atoms of two propan-2-olate anions in a distorted TiN2O4octahedral coordination geometry, in which the two N atoms are in acisconfiguration. In the crystal, complex molecules are stacked parallel to [100], leaving space for channels parallel to [001] where the solvent molecules are located.

scholarly journals trans-Bis(nitrato-κO)tetrakis(1-vinyl-1H-imidazole-κN3)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1045-m1045 ◽  
Author(s):  
Fatih Şen ◽  
Ramazan Şahin ◽  
Ömer Andaç ◽  
Murat Taş
Keyword(s):  
Equatorial Plane ◽  
Title Compound ◽  
Nitrate Anion ◽  
Coordination Geometry ◽  
Complex Molecules ◽  
Π Interactions ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Jahn Teller

In the title compound, [Cu(NO3)2(C5H6N2)4], the CuIIion is located on an inversion centre. It features a Jahn–Teller-distorted octahedral coordination geometry, defined by four N atoms of four 1-vinylimidazole ligands in the equatorial plane and two nitrate O atoms in the axial positions. The nitrate anion is disordered over two sets of sites in a 0.801 (6):0.199 (6) ratio. In the crystal, the complex molecules are linked by weak intermolecular C—H...O and C—H...π interactions.

scholarly journals Dichlorido[1,1-(diphenylphosphino)hydrazide]palladium(II) dichloromethane monosolvate

IUCrData ◽  
2018 ◽  
Vol 4 (1) ◽  
Author(s):  
Martha Höhne ◽  
Bhaskar R. Aluri ◽  
Anke Spannenberg ◽  
Bernd H. Müller ◽  
Normen Peulecke ◽  
...  
Keyword(s):  
Diffraction Data ◽  
Title Compound ◽  
Complex Molecule ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Square Planar ◽  
Solvent Molecules

In the title compound, [PdCl2(C24H22N2P2)]·CH2Cl2, the palladium(II) atom is surrounded by a chelating P—N—P ligand Ph2P—N(NH2)—PPh2 containing a hydrazine entity and two chlorido ligands in a distorted square-planar coordination geometry. Beside the complex molecule, the asymmetric unit contains a co-crystallized dichloromethane molecule. The contributions of further disordered solvent molecules were removed from the diffraction data using the SQUEEZE [Spek (2015). Acta Cryst. C71, 9–18] procedure.

scholarly journals Crystal structure of {2-[({2-[(2-aminoethyl)amino]ethyl}imino)methyl]-6-hydroxyphenolato-κ4N,N′,N′′,O1}(nitrato-κO)copper(II) ethanol 0.25-solvate

2015 ◽  
Vol 71 (11) ◽  
pp. m205-m206 ◽  
Author(s):  
Shabana Noor ◽  
Sarvendra Kumar ◽  
Suhail Sabir ◽  
Rüdiger W. Seidel ◽  
Richard Goddard
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Schiff Base Ligand ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Nitrate Anion ◽  
Complex Molecules ◽  
Pyramidal Configuration ◽  
Axis Of Symmetry

In the crystal structure of the title mononuclear CuIIcomplex, [Cu(C11H16N3O2)(NO3)]·0.25C2H5OH, the complex molecules are linked by N—H...O and O—H...O hydrogen bonds, forming a dimer with an approximate non-crystallographic twofold rotation axis of symmetry. In the monomeric unit, the Cu2+ion exhibits a distorted square-pyramidal configuration, whereby the anionic [HL]−Schiff base ligand binds in a tetradentate fashionviathe O and the three N atoms which all are approximately coplanar. The O atom of a nitrate anion occupies the fifth coordination site, causing the CuIIatom to move slightly out of the approximate basal plane toward the bound nitrate group. The structure exhibits disorder of the ethanol solvent molecule.

scholarly journals Tetracarbonyl[N-(diphenylphosphanyl-κP)-N,N′-diisopropyl-P-phenylphosphorus diamide-κP]molybdenum(0) with an unknown solvent

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Martha Höhne ◽  
Marc Gongoll ◽  
Anke Spannenberg ◽  
Bernd H. Müller ◽  
Normen Peulecke ◽  
...  
Keyword(s):  
Solvent Molecule ◽  
Coordination Geometry ◽  
Crystal Data ◽  
Chemical Formula ◽  
Acta Cryst ◽  
Carbonyl Ligands ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
The Given

The title complex, [Mo(C24H30N2P2)(CO)4], contains a molybdenum centre bearing a P,P′-cis-chelating Ph2PN( i Pr)P(Ph)NH( i Pr) and four carbonyl ligands in a distorted octahedral coordination geometry. This results in a nearly planar four-membered metallacycle. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds to form layers parallel to the ac plane. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

scholarly journals Crystal structure of the mixed methanol and ethanol solvate of bis{3,4,5-trimethoxy-N′-[1-(pyridin-2-yl)ethylidene]benzohydrazidato}zinc(II)

2020 ◽  
Vol 76 (3) ◽  
pp. 303-308
Author(s):  
Kateryna Znovjyak ◽  
Igor O. Fritsky ◽  
Tatiana Y. Sliva ◽  
Vladimir M. Amirkhanov ◽  
Maksym Seredyuk
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Complex Molecule ◽  
Solvent Molecule ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Complex Molecules ◽  
Ethanol Solvate ◽  
Pyridine Group

The unit cell of the title compound, [Zn(C17H18N3O4)2]·CH4O·C2H6O, contains two complex molecules related by an inversion centre, plus one methanol and one ethanol solvent molecule per complex molecule. In each complex, two deprotonated pyridine aroylhydrazone ligands {3,4,5-trimethoxy-N′-[1-(pyridin-2-yl)ethylidene]benzohydrazide} coordinate to the ZnII ion through the N atoms of the pyridine group and the ketamine, and, additionally, through the O atom of the enolate group. In the crystal, dimers are formed by π–π interactions between the planar ligand moieties, which are further connected by C...O and C...C interactions. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most important contributions for the crystal packing are from H...H (44.8%), H...C/C...H (22.2%), H...O/O...H (18.7%) and C...C (3.9%) interactions.

scholarly journals Bis{2-methoxy-6-[(E)-(4-methylbenzyl)iminomethyl]phenolato}palladium(II) chloroform monosolvate

2014 ◽  
Vol 70 (8) ◽  
pp. m289-m290 ◽  
Author(s):  
Hadariah Bahron ◽  
Amalina Mohd Tajuddin ◽  
Wan Nazihah Wan Ibrahim ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Solvent Molecule ◽  
Title Complex ◽  
The Other ◽  
Planar Geometry ◽  
Inversion Center ◽  
Complex Molecules ◽  
Square Planar ◽  
Solvent Molecules ◽  
Cl Atom ◽  
Full Occupancy

In the title complex, [Pd(C16H16NO2)2]·CHCl3, the PdIIcation lies on an inversion center. One Cl atom of the CHCl3solvent molecule lies on a twofold axis and the C—H group is disordered with equal occupancies about this axis with the other Cl atom in a general position with full occupancy. The PdIIcation is four-coordinate and adopts a square-planar geometryviacoordination of the imine N and phenolic O atoms of the two bidentate Schiff base anions. The N and O atoms of these ligands are mutuallytrans. The plane of the benzene ring makes a dihedral angle of 73.52 (10)° with that of the methoxyphenolate ring. In the crystal, molecules of the PdIIcomplex are arranged into sheets parallel to theacplane, and the chloroform solvent molecules are located in the interstitial areas between the complex molecules. Weak intermolecular C—H...O and C—H...π interactions stabilize the packing.

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