scholarly journals Crystal structure of di-μ-hydroxido-bis[aqua(1,10-phenanthroline-κ2N,N′)copper(II)] naphthalene-2,6-dicarboxylate hexahydrate

2015 ◽  
Vol 71 (4) ◽  
pp. 360-362 ◽  
Author(s):  
Daniela Arias-Zárate ◽  
María Fernanda Ballesteros-Rivas ◽  
Rubén A. Toscano ◽  
Jesús Valdés-Martínez
Keyword(s):  
Crystal Structure ◽  
Binuclear Complex ◽  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Supramolecular Architecture ◽  
Aromatic Rings ◽  
Phen Molecule ◽  
Lattice Water

In the title compound, [Cu2(OH)2(C12H8N2)2(H2O)2](C12H6O4)·6H2O, the two hydroxide groups bridge the two CuIIcations, forming a centrosymmetric binuclear complex cation, in which the CuIIcation is coordinated by a 1,10-phenanthroline (phen) molecule, one water molecule and two bridging hydroxide O atoms in a distorted N2O3square-pyramidal coordination geometry. The naphthalene-2,6-dicarboxylate anion is also located on an inversion centre. In the crystal, O—H...O hydrogen bonds link the cations, anions and lattice water molecules into a three-dimensional supramolecular architecture. Extensive π–π stacking is observed between the parallel or nearly parallel aromatic rings of adjacent phen ligands and naphthalenedicarboxylate anions, the centroid-to-centroid distances ranging from 3.4990 (16) to 3.8895 (16) Å.

scholarly journals Crystal structure ofcatena-poly[[diaquacobalt(II)]-bis[μ-5-(4-carboxyylatophenyl)picolinato]-κ3N,O2:O5;κ3O5:N,O2-[diaquacobalt(II)]-μ-1-[4-(1H-imidazol-1-yl)phenyl]-1H-imidazole-κ2N3:N3′]

2015 ◽  
Vol 71 (7) ◽  
pp. m145-m146
Author(s):  
Guo-Wang Xu ◽  
Ye-Nan Wang ◽  
Hai-Bing Wang ◽  
Zhong-Long Wang
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Polymeric Chains ◽  
Coordination Water ◽  
Binuclear Unit

The asymmetric unit of the title polymeric CoIIcomplex, [Co2(C13H7NO4)2(C12H10N4)(H2O)4]n, contains a CoIIcation, a 5-(4-carboxylatophenyl)picolinate dianion, two coordination water molecules and half of 1-[4-(1H-imidazol-1-yl)phenyl]-1H-imidazole ligand. The CoIIcation is coordinated by two picolinate dianions, two water molecules and one 1-[4-(1H-imidazol-1-yl)phenyl]-1H-imidazole molecule in a distorted N2O4octahedral coordination geometry. The two picolinate dianions are related by an inversion centre and link two CoIIcations, forming a binuclear unit, which is further bridged by the imidazole molecules, located about an inversion centre, into the polymeric chain propagating along the [-1-11] direction. In the crystal, the three-dimensional supramolecular architecture is constructed by O—H...O hydrogen bonds between the coordinating water molecules and the non-coordinating carboxylate O atoms of adjacent polymeric chains.

scholarly journals Crystal structure of canagliflozin hemihydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 734-736 ◽  
Author(s):  
Kai-Hang Liu ◽  
Jian-Ming Gu ◽  
Xiu-Rong Hu ◽  
Gu-Ping Tang
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Lattice Water ◽  
Compound C

There are two canagliflozin molecules (AandB) and one water molecule in the asymmetric unit of the title compound, C24H25FO5S·0.5H2O [systematic name: (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2H-pyran-3,4,5-triol hemihydrate]. The dihedral angles between the methylbenzene and thiophene rings are 115.7 (4) and 111.7 (4)°, while the dihedral angles between the fluorobenzene and thiophene rings are 24.2 (6) and 20.5 (9)° in moleculesAandB, respectively. The hydropyran ring exhibits a chair conformation in both canagliflozin molecules. In the crystal, the canagliflozin molecules and lattice water molecules are connectedviaO—H...O hydrogen bonds into a three-dimensional supramolecular architecture.

The first three-dimensional FeIII–SrIIheterometallic coordination polymer: poly[[diaquatetrakis(μ3-pyridine-2,3-dicarboxylato)diiron(III)strontium(II)] dihydrate]

2015 ◽  
Vol 71 (10) ◽  
pp. 903-907 ◽  
Author(s):  
Yongfeng Yang ◽  
Tao Li ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral

The title compound, poly[[diaqua-1κ2O-tetrakis(μ3-pyridine-2,3-dicarboxylato)-2:1:2′κ10N,O2:O2′,O3:O3′;2:1:2′κ8O3:O3′:N,O2-diiron(III)strontium(II)] dihydrate], {[Fe2Sr(C7H3O4)4(H2O)2]·2H2O}n, which has triclinic (P\overline{1}) symmetry, was prepared by the reaction of pyridine-2,3-dicarboxylic acid, SrCl2·6H2O and Fe(OAc)2(OH) (OAc is acetate) in the presence of imidazole in water at 363 K. In the crystal structure, the pyridine-2,3-dicarboxylate (pydc2−) ligand exhibits μ3-η1,η1:η1:η1and μ3-η1,η1:η1,η1:η1coordination modes, bridging two FeIIIcations and one SrIIcation. The SrIIcation, which is located on an inversion centre, is eight-coordinated by six O atoms of four pydc2−ligands and two water molecules. The coordination geometry of the SrIIcation can be best described as distorted dodecahedral. The FeIIIcation is six-coordinated by O and N atoms of four pydc2−ligands in a slightly distorted octahedral geometry. Each FeIIIcation bridges two neighbouring FeIIIcations to form a one-dimensional [Fe2(pydc)4]nchain. The chains are connected by SrIIcations to form a three-dimensional framework. The topology type of this framework istfj. The structure displays O—H...O and C—H...O hydrogen bonding.

scholarly journals Diaquabis[5-(pyrazin-2-yl-κN1)-3-(pyridin-3-yl)-1,2,4-triazolido-κN1]zinc

2014 ◽  
Vol 70 (4) ◽  
pp. m116-m116
Author(s):  
Ye-Nan Wang ◽  
Wen-Wen Dong
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Supramolecular Architecture ◽  
Inversion Center ◽  
Aromatic Rings ◽  
Anionic Ligand

In the title compound, [Zn(C11H7N6)2(H2O)2], the ZnIIcation, located on an inversion center, isN,N′-chelated by two 5-(pyrazin-2-yl)-3-(pyridin-3-yl)-1,2,4-triazolide anions and is further coordinated by two water molecules in a distorted N4O2octahedral geometry. In the anionic ligand, the pyrazine and pyridine rings are twisted with respect to the central triazole ring by 5.77 (10) and 11.54 (10)°, respectively. In the crystal, classical O—H...N and weak C—H...O hydrogen bonds and π–π stacking interactions between aromatic rings [the centroid–centroid distances between triazole and pyrazine rings, and between triazole and pyridine rings are 3.623 (2) and 3.852 (2) Å, respectively] connect the molecules into a three-dimensional supramolecular architecture.

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 di-μ-hydroxido-bis{aqua[ethyl (1,10-phenanthrolin-3-yl)phosphonato-κ2N,N′]copper(II)} heptahydrate

2018 ◽  
Vol 74 (12) ◽  
pp. 1751-1754
Author(s):  
Alexander Yu. Mitrofanov ◽  
Yoann Rousselin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Binuclear Complex ◽  
Three Dimensional ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

In the title compound, [Cu2(OH)2{C12H7N2(PO3C2H5)}2(H2O)2]·7H2O, two Cu2+cations are bridged by two hydroxide groups, forming a centrosymmetric binuclear complex. Each Cu2+cation is further coordinated by the N atoms of a bidentate ethyl (1,10-phenanthrolin-3-yl)phosphonate anion and a water molecule in a square-pyramidal geometry. In the crystal, a network of O—H...O hydrogen bonds involving the P(O)(O−)(OEt) groups, bridging hydroxyl groups, coordinated and uncoordinated water molecules generates a three-dimensional supramolecular structure. The ethyl group exhibits disorder and was modelled over three sites with occupancies of 0.455, 0.384 and 0.161.

scholarly journals Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ3N,N′,N′′}nickel(II) dichloride 3.5-hydrate

2014 ◽  
Vol 70 (9) ◽  
pp. m339-m340
Author(s):  
Benson M. Kariuki ◽  
Abdul-Razak H. Al-Sudani
Keyword(s):  
Crystal Structure ◽  
Metal Ion ◽  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Amine Ligands

In the title compound, [Ni(C13H17N3)2]Cl2·3.5H2O, the geometry of the NiN6complex cation is slightly distorted octahedral, with a facial arrangement of the two tridentateN-[2-(dimethylamino)ethyl]quinolin-8-amine ligands around the metal ion. The asymmetric unit consists of two independent complex half-molecules located on centres of inversion, together with two chloride counter-anions and 3.5 water molecules of solvation, one of which is disordered across an inversion centre. In the crystal, O—H...O, O—H...Cl and N—H...Cl hydrogen-bonding interactions form a three-dimensional network structure.

catena-Poly[[[diaquabarium(II)]-bis[μ-2-(4-carboxyphenoxy)propionato-κ3 O,O′:O′] dihydrate]

2007 ◽  
Vol 63 (11) ◽  
pp. m2850-m2850 ◽  
Author(s):  
Li-Li Kong ◽  
Shan Gao ◽  
Li-Hua Huo ◽  
Seik Weng Ng
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Chain Structure ◽  
Water Molecules ◽  
Site Symmetry ◽  
Acceptor Site ◽  
Special Position ◽  
Lattice Water ◽  
Dimensional Network ◽  
A Chain

In the crystal structure of the polymeric title compound, {[Ba(C10H9O5)2(H2O)2]·2H2O} n , the BaII atom is O,O′-chelated by the carboxylate end of two 2-(4-carboxyphenoxy)propionate monoanions, and is coordinated by two water molecules. It also interacts with the carboxylate O atom of two adjacent monoanions; these bonds give rise to a chain structure along the c axis. Meanwhile, the carboxyl –CO2H end of the anion interacts with an acceptor site [O...O = 2.608 (2) Å]; this interaction and hydrogen bonding involving the coordinated and lattice water molecules give rise to a three-dimensional network. The eight coordinating O atoms comprise a square-antiprism around the metal atom, which lies on a special position of site symmetry 2.

scholarly journals Crystal structure ofcatena-poly[[[triaqua(4-cyanobenzoato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2N:N′] 4-cyanobenzoate]

2015 ◽  
Vol 71 (11) ◽  
pp. m197-m198 ◽  
Author(s):  
Alfredo A. Morales-Tapia ◽  
Raúl Colorado-Peralta ◽  
Angélica M. Duarte-Hernández ◽  
Angelina Flores-Parra ◽  
José María Rivera
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Complex Salt ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Polymeric Complex ◽  
Polymeric Chains

In the title polymeric complex salt, {[Ni(C8H4NO2)(C10H8N2)(H2O)3](C8H4NO2)}n, the NiIIcation is coordinated by a 4-cyanobenzoate anion, two 4,4′-bipyridine ligands and three water molecules in a distorted N2O4octahedral geometry. The 4,4′-bipyridine ligands bridge the NiIIcations to form polymeric chains of the title complex cations, propagating along thec-axis direction. The dihedral angle between the pyridine rings of the 4,4′-bipyridine ligand is 24.9 (6)°. In the crystal, the uncoordinating 4-cyanobenzoate anions link with the complex cationsviaO—H...O hydrogen bonds into a three-dimensional supramolecular architecture. Weak C—H...O, C—H...N interactions and π–π stacking [centroid-to-centroid distances = 3.566 (4) and 3.885 (4) Å] are also observed in the crystal.

scholarly journals Crystal structure, electrochemical and spectroscopic investigation of mer-tris[2-(1H-imidazol-2-yl-κN 3)pyrimidine-κN 1]ruthenium(II) bis(hexafluoridophosphate) trihydrate

2018 ◽  
Vol 74 (7) ◽  
pp. 874-877 ◽  
Author(s):  
Naheed Bibi ◽  
Renan Barrach Guerra ◽  
Luis Enrique Santa Cruz Huamaní ◽  
André Luiz Barboza Formiga
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Three Dimensional ◽  
Bidentate Ligand ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Hydrogen Atoms ◽  
Counter Ions ◽  
Ligand Charge Transfer ◽  
Distorted Octahedral

The crystal structure of the title compound, [Ru(C7H6N4)3](PF6)2·3H2O, a novel RuII complex with the bidentate ligand 2-(1H-imidazol-2-yl)pyrimidine, comprises a complex cation in the meridional form exclusively, with a distorted octahedral geometry about the ruthenium(II) cation. The Ru—N bonds involving imidazole N atoms are comparatively shorter than the Ru—N bonds from pyrimidine because of the stronger basicity of the imidazole moiety. The three-dimensional hydrogen-bonded network involves all species in the lattice with water molecules interacting with both counter-ions and NH hydrogen atoms from the complex. The supramolecular structure of the crystal also shows that two units of the complex bind strongly through a mutual N—H...N bond. The electronic absorption spectrum of the complex displays an asymmetric band at 421 nm, which might point to the presence of two metal-to-ligand charge-transfer (MLCT) bands. Electrochemical measurements show a quasi-reversible peak referring to the RuIII/RuII reduction at 0.87 V versus Ag/AgCl.

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