scholarly journals Crystal structure of tetrakis[μ-2-(methoxycarbonyl)benzoato-κ2 O 1:O 1′]bis[(N,N-dimethylformamide-κO)copper(II)](Cu—Cu) dimethylformamide disolvate

2018 ◽  
Vol 74 (5) ◽  
pp. 691-694 ◽  
Author(s):  
Jinglin Wang ◽  
Feng Su ◽  
Lili Shi
Keyword(s):  
Three Dimensional ◽  
Dimensional Structure ◽  
Aromatic Rings ◽  
Coordination Environment ◽  
Face To Face ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Jahn Teller ◽  
Solvent Molecules ◽  
Distorted Octahedral Coordination Environment

The title compound, [Cu2(C9H7O4)4(C3H7NO)2]·2C3H7NO, crystallizes in the monoclinic P21/c space group, with the binuclear copper unit occupying a special position on an inversion center, i.e. the asymmetric unit of the crystal consists of one CuII ion, two 2-(methoxycarbonyl)benzoate ligands, and two DMF molecules (one coordinated and one solvate). The binuclear complex displays a paddle-wheel-shaped structure with the two copper atoms being in a Jahn–Teller-distorted octahedral coordination environment. Each 2-(methoxycarbonyl)benzoate substituent acts as a bridging ligand and links two Cu atoms with a Cu—Cu distance of 2.633 (1) Å. The carboxylate groups of the 2-(methoxycarbonyl)benzoate ligands adopt bidentate syn–syn bridging modes, with dihedral angles between the carboxylate planes and the aromatic rings of 18.427 (4) and 43.029 (6)°. In the crystal, adjacent DMF molecules coordinated to copper atoms are arranged in a mutual `head-to-tail' manner by offset face-to-face π–π stacking interactions, resulting in chains along the c-axis direction. The planes of the coordinated DMF molecules are parallel to each other, the distance between them being 3.33 (1) Å. A three-dimensional structure is assembled from the chains by weak C—H...O and C—H...π intermolecular interactions involving the DMF solvent molecules. One of the methyl ester groups is disordered over two sites with an occupancy ratio of 0.751 (12):0.249 (12).

scholarly journals Crystal structure, Hirshfeld surface analysis and DFT studies of tetrakis(μ-3-nitrobenzoato-κ2 O 1:O 1′)bis[(N,N-dimethylformamide-κO)copper(II)] dimethylformamide disolvate

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Mavlonbek A. Ziyaev ◽  
Jamshid M. Ashurov ◽  
Alisher G. Eshimbetov ◽  
Bakhtiyar T. Ibragimov
Keyword(s):  
Three Dimensional ◽  
Free Ligand ◽  
Dimensional Structure ◽  
Aromatic Rings ◽  
Binuclear Copper ◽  
Coordination Environment ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
Solvate Molecule

The title compound, [Cu2(C7H4NO4)4(C3H7NO)2]·(C3H7NO)2, is a binuclear copper(II) complex located on an inversion center midway between the two copper(II) cations. The asymmetric unit consists of one CuII cation, two 3-nitrobenzoato ligands, and two dimethylformamide (DMF) molecules, one of which coordinates to the CuII cation and one is a solvate molecule. The carboxylate groups of the ligands bridge two CuII cations with a Cu—Cu distance of 2.6554 (6) Å, completing a distorted octahedral O5Cu coordination environment. The dihedral angles between the carboxylate and the aromatic ring planes of the two independent ligands are different from one another, viz. 5.2 (3) and 23.9 (3)°. The three-dimensional structure is consolidated by weak C—H...O interactions and stabilized by π–π stacking interactions between the aromatic rings. The complex and the free ligand were further characterized by Fourier-transform infrared spectroscopy (FT–IR), and the energies of the frontier molecular orbitals of the complex were determined by DFT calculations at the B3LYP/def2-TZVP level of theory.

scholarly journals Bis[bis(2,2′-bipyridine-κ2N,N′)(carbonato-κ2O,O′)cobalt(III)] 2-{4-[(carboxylatomethyl)carbamoyl]benzamido}acetate hexahydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m160-m161 ◽  
Author(s):  
Niels-Patrick Pook ◽  
Mimoza Gjikaj ◽  
Arnold Adam
Keyword(s):  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Coordination Environment ◽  
Distorted Octahedral ◽  
Carbonate Anion ◽  
Distorted Octahedral Coordination Environment

The complex cation of the title compound, [Co(CO3)(C10H8N2)2]2(C12H10N2O6)·6H2O, contains a CoIIIatom with a distorted octahedral coordination environment formed by four N atoms from two bidentate 2,2′-bipyridine ligands and one bidentate carbonate anion. The asymmetric unit is completed by one-half of the 2-({4-[(carboxylatomethyl)carbamoyl]phenyl}formamido)acetate dianion, which is located on a centre of inversion, and by three water molecules. Two [Co(CO3)(C10H8N2)2]+cations are connected through C—H...O contacts by the uncoordinating anions. The aromatic rings of the 2,2′-bipyridine ligands and diacetate anions are involved in π–π stacking and C—H...π interactions. The centroid–centroid distances are in the range 3.4898 (4)–3.6384 (5) Å. The crystal structure is stabilized by further O—H...O and N—H...O hydrogen bonds, which give rise to a three-dimensional supramolecular network.

scholarly journals Crystal structure of {(E)-2-[(3,4-dimethoxyphenylimino)methyl]phenolato-κ2 N,O 1}bis[2-(pyridin-2-yl)phenyl-κ2 C 1,N]iridium(III) dichloromethane disolvate

2018 ◽  
Vol 74 (8) ◽  
pp. 1107-1110
Author(s):  
Nirmal K. Shee ◽  
Chang Seop Hong ◽  
Woo Ram Lee ◽  
Hee-Joon Kim
Keyword(s):  
Complex Molecule ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Complex Molecules ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Solvent Molecules ◽  
Distorted Octahedral Coordination Environment

The asymmetric unit of the solvated title complex, [Ir(C11H8N)2(C15H14NO3)]·2CH2Cl2, consists of two complex molecules together with four dichloromethane solvent molecules, one of which is disordered. In each complex molecule, the IrIII ion has a distorted octahedral coordination environment defined by two 2-phenylpyridine ligands, through two phenyl C and two pyridine N atoms, and by one N,O-bidentate 2-[(2,4-dimethoxyphenylimino)methyl]phenolate anion. The IrIII ions lie almost in the equatorial planes with deviations of 0.0396 (17) and 0.0237 (17) Å, respectively, for the two complex molecules. In both complex molecules, the two 2-phenylpyridine ligands are nearly perpendicular to each other [dihedral angles between the least-squares-planes of 89.91 (11) and 85.13 (11)°]. In the crystal, intermolecular C—H...O interactions as well as intermolecular C—H...π interactions are present, leading to a three-dimensional network structure. One of the four dichlormethane solvent molecules shows disorder over two sets of sites [occupancy ratio 0.79 (2):0.21 (2)].

Diaquabis(pyridine-2,3-dicarboxylato)copper(II)

2006 ◽  
Vol 62 (5) ◽  
pp. m1122-m1123 ◽  
Author(s):  
Jiang-Feng Xiang ◽  
Ming Li ◽  
Si-Min Wu ◽  
Liang-Jie Yuan ◽  
Ju-Tang Sun
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Common Plane ◽  
Mild Temperature ◽  
Distorted Octahedral Coordination Environment

The centrosymmetric title copper(II) complex, [Cu(C7H4NO4)2(H2O)2], was synthesized via the hydrothermal method at a mild temperature (353 K). The CuII ion has a distorted octahedral coordination environment, with two N and two O atoms from the pyridine-2,3-dicarboxylate ligands in a common plane and with two water molecules in axial positions. Hydrogen bonds play an important role in the formation of the three-dimensional structure.

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 trichlorido(4′-ferrocenyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)iridium(III) acetonitrile disolvate

2015 ◽  
Vol 71 (3) ◽  
pp. m69-m70 ◽  
Author(s):  
Bambar Davaasuren ◽  
Harihara Padhy ◽  
Alexander Rothenberger
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Ferrocenyl Group ◽  
Distorted Octahedral ◽  
Chloride Ligands ◽  
Solvent Molecules

In the title compound, [FeIr(C5H5)(C20H14N3)Cl3]·2CH3CN, the central IrIIIatom is sixfold coordinated by three chloride ligands and three terpyridine N atoms in a slightly distorted octahedral fashion. The terpyridine ligand is functionalized at the 4′-position with a ferrocenyl group, the latter being in an eclipsed conformation. In the crystal, molecules are stacked in rows parallel to [001], with the acetonitrile solvent molecules situated between the rows. An extensive network of intra- and intermolecular C—H...Cl interactions is present, stabilizing the three-dimensional structure.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II)

2017 ◽  
Vol 73 (9) ◽  
pp. 1302-1304 ◽  
Author(s):  
Hicham El Hamdani ◽  
Mohammed El Amane ◽  
Carine Duhayon
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Distorted Octahedral Coordination Environment

The title complex, [Co(C7H7N4O2)2(H2O)4], comprises mononuclear molecules consisting of a CoIIion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and four coordinating water molecules. The CoIIatom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of twotrans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

scholarly journals Bis[2-(2-aminoethyl)-1H-benzimidazole-κ2 N 2,N 3](nitrato-κ2 O,O′)cobalt(II) chloride trihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m711-m712
Author(s):  
Jing Zhao ◽  
Heng Zhang ◽  
Guoyi Zhu
Keyword(s):  
Three Dimensional ◽  
Water Molecules ◽  
Nitrate Anion ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Benzene Rings ◽  
Chloride Trihydrate ◽  
Distorted Octahedral Coordination Environment

In the title compound, [Co(NO3)(C9H11N3)2]Cl·3H2O, the CoII atom is coordinated by four N atoms from two chelating 2-(2-aminoethyl)-1H-benzimidazole ligands and two O atoms from one nitrate anion in a distorted octahedral coordination environment. In the crystal, N—H...Cl, N—H...O, O—H...Cl and O—H...O hydrogen bonds link the complex cations, chloride anions and solvent water molecules into a three-dimensional network. π–π interactions between the imidazole and benzene rings and between the benzene rings are observed [centroid–centroid distances = 3.903 (3), 3.720 (3), 3.774 (3) and 3.926 (3) Å].

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 catena-Poly[[diaqua(1H-imidazo[4,5-f][1,10]phenanthroline)cobalt(II)]-μ-sulfato]

2009 ◽  
Vol 65 (6) ◽  
pp. m618-m618 ◽  
Author(s):  
Jian Yu
Keyword(s):  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Coordination Environment ◽  
One Dimensional ◽  
Distorted Octahedral Coordination ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Coordinated Water ◽  
Distorted Octahedral Coordination Environment

The CoIIion in the title complex, [Co(SO4)(C13H8N4)(H2O)2]n, has a slightly distorted octahedral coordination environment formed by two O atoms from two symmetry-related bridging sulfate ligands, two N atoms from a bis-chelating 1H-imidazo[4,5-f][1,10]phenanthroline (IPL) ligand and two O atoms from coordinated water molecules. The bridging sulfate ligands connect CoIIions to form a one-dimensional chain along theb-axis direction. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the chains into a three-dimensional network.

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