scholarly journals Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)

2016 ◽  
Vol 72 (1) ◽  
pp. 96-101
Author(s):  
Zhe An ◽  
Jing Gao ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Structures ◽  
Metal Ion ◽  
Three Dimensional ◽  
Trigonal Prism ◽  
Planar Geometry ◽  
Cationic Complex ◽  
Counter Ion ◽  
Square Planar

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ2O,O′)bis(sparfloxacin-κ2O,O′)manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis(sparfloxacin-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C19H22F2N4O3)2](C8H4O4)·2H2O or [Cu(Hspar)2](bdc)·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn2+ion in (I) is coordinated by twoO,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and anO,O′-bidentate bdc dianion to generate a distorted MnO6trigonal prism. A very long bond [2.580 (12) Å] from the Mn2+ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu2+ion lies on a crystallographic inversion centre and a CuO4square-planar geometry arises from its coordination by twoO,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H...O hydrogen bonds, which closeS(6) rings. In the crystals of both (I) and (II), the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating three-dimensional networks.

scholarly journals (1,4,8,11-Tetraazacyclotetradecane)palladium(II) diiodide monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Kwang Ha
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Network Structure ◽  
Three Dimensional ◽  
Cationic Complex ◽  
Intermolecular Hydrogen Bonds ◽  
Coordination Environment ◽  
Solvent Water ◽  
Dimensional Network ◽  
Square Planar

In the title compound, [Pd(C10H24N4)]I2·H2O, the PdII ion is four-coordinated in a slightly distorted square-planar coordination environment defined by four N atoms from a 1,4,8,11-tetraazacyclotetradecane ligand. The cationic complex, two I− anions and the solvent water molecule are linked through intermolecular hydrogen bonds into a three-dimensional network structure.

A new polymorph of (dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[a,g]cyclotetradecine-13,18-dicarboxylato-κ4 N)nickel(II)

2006 ◽  
Vol 62 (4) ◽  
pp. m870-m872
Author(s):  
Chang-Qing Li ◽  
Li-Na Zhu ◽  
Xiao-Zeng Li ◽  
Rong Li
Keyword(s):  
Hydrogen Bonds ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Title Complex ◽  
Planar Geometry ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Complex Molecules ◽  
Π Stacking ◽  
Square Planar

A new polymorph of the title complex, [Ni(C22H18N4O6)], has been synthesized and structurally characterized. Ni(II) is coordinated by the four nitrogen donors of the macrocyclic ligand with a distorted square-planar geometry. C—H...O hydrogen bonds and π...π stacking interactions link the complex molecules, forming an infinite three-dimensional supramolecular network.

scholarly journals Dichlorido(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)palladium(II) dimethyl sulfoxide monosolvate monohydrate

2014 ◽  
Vol 70 (6) ◽  
pp. m200-m201 ◽  
Author(s):  
Ricardo A. Gutiérrez-Márquez ◽  
Carmela Crisóstomo-Lucas ◽  
Reyna Reyes-Martínez ◽  
Simón Hernández-Ortega ◽  
David Morales-Morales
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Title Compound ◽  
Three Dimensional ◽  
Planar Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Bite Angle ◽  
Linear Chains ◽  
Square Planar

The title compound, [PdCl2(C18H24N2)]·(CH3)2SO·H2O, the PdIIion is in a distorted square-planar geometry. The Pd—N bond distances are 2.022 (2) and 2.027 (2) Å, the Pd—Cl bond distances are 2.2880 (7) and 2.2833 (7) Å, and the ligand bite angle is 80.07 (9)°. The dimethyl sulfoxide and water molecules form linear chains along [100] by O—H...O and O—H...S hydrogen bonds, generating eight- and 12-membered rings. C—H...Cl interactions link the chains, forming a three-dimensional arrangement. In addition, the 4,4-di-tert-butyl-2,2′-bipyridine ligand exhibits π–π stacking interactions [centroid–centroid distances = 3.8741 (15) and 3.8353 (15) Å]. The DMSO solvent is disordered and was refined with an occupancy ratio of 0.866 (3):0.134 (3).

Poly[diaqua-μ4-benzene-1,4-dicarboxylato-di-μ2-benzene-1,4-dicarboxylato-bis(N,N′-dimethylformamide)digadolinium(III)]

2006 ◽  
Vol 62 (7) ◽  
pp. m1600-m1602 ◽  
Author(s):  
Wen-Zhi Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Trigonal Prism ◽  
Dimensional Structure ◽  
Aromatic Rings ◽  
Three Dimensional Structure ◽  
Carboxylate Groups ◽  
Tricapped Trigonal Prism

In the title compound, [Gd2(C8H4O4)3(C3H7NO)2(H2O)2] n , the central GdIII atom is nine-coordinated by seven O atoms from benzene-1,4-dicarboxylate (1,4-BDC) ligands, one dimethylformamide and one water molecule in a distorted tricapped trigonal–prism coordination. The 1,4-BDC ligands link the GdIII atoms, forming a three-dimensional structure. All aromatic rings are located on centres of inversion. The water molecule forms hydrogen bonds to carboxylate groups.

scholarly journals Bis(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)nickel(II) bis(perchlorate) hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Carolin Anderer ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Cationic Complex ◽  
Terpyridine Ligands ◽  
Atom Position ◽  
Discrete Complex

In the title compound, [Ni(C15H11N3)2](ClO4)2·0.5H2O, the Ni2+cation is coordinated by two terpyridine ligands to form a discrete complex and the coordination polyhedron can be described as a slightly distorted octahedron. It crystallizes as a hemihydrate with two perchlorate anions to compensate the charges. In the crystal, one of the two crystallographically independent perchlorate anions is involved in O—H...O hydrogen bonding to the water molecules, where two inversion-related water molecules link two inversion-related perchlorate anions into a ring with anR42(12) loop. The O-atom position of the water molecule is only half occupied,i.e.only half of the anions are involved in hydrogen bonding. A similar arrangement of two anions is also observed for the second crystallographically independent perchlorate anion but no water molecules are located between the anions. The cationic complex and the perchlorate anions are additionally linked by a number of weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular structure. The crystal structure of the monohydrate of the same complex has been reported [Bakeret al.(1995).Aust. J. Chem.48, 1373–1378].

scholarly journals Crystal structure of [3-(4,5-dihydro-1,3-thiazolin-2-yl-κN)-1,3-thiazolidine-2-thione-κS2](1,3-thiazolidine-2-thione-κS2)copper(I) nitrate

2014 ◽  
Vol 70 (8) ◽  
pp. 91-93 ◽  
Author(s):  
Saowanit Saithong ◽  
Pirawan Klongkleaw ◽  
Chaveng Pakawatchai ◽  
Jedsada Mokakul
Keyword(s):  
Hydrogen Bonds ◽  
Close Contact ◽  
Three Dimensional ◽  
Complex Salt ◽  
Mirror Plane ◽  
Planar Geometry ◽  
Nitrate Anion ◽  
Cationic Complex ◽  
Dimensional Network ◽  
Centroid Distance

The mononuclear complex salt, [Cu(C3H5NS2)(C6H8N2S3)]NO3, contains a [C9H13CuN3S5]+cation and an NO3−anion. All of the non-H atoms of the cation lie on a mirror plane, as do the N and one O atom of the nitrate anion, such that the planes of the cation and anion are mutually orthogonal. The cationic complex adopts a slightly distorted trigonal–planar geometry about the CuIcation. In the crystal, layers parallel to (010) are generated by N—H...O hydrogen bonds, supported by short S...O [3.196 (4) and 3.038 (3) Å] and S...S contacts [3.4392 (13) Å]. Adjacent layers are linked by C—H...O hydrogen bonds and weak π–π stacking interactions [centroid–centroid distance = 4.0045 (10) Å] between the thiazoline rings, forming a three-dimensional network. This stacking also imposes a close contact, of approximately 3.678 Å, between the CuIcations and the centroids of the six-membered chelate rings of molecules in adjacent layers.

Synthesis, Crystal Structures and Characterization of a New Antitumor Cu(II) Complex with N-sulfonamide Ligand

2018 ◽  
Vol 69 (6) ◽  
pp. 1407-1410
Author(s):  
Adriana Corina Hangan ◽  
Alexandru Turza ◽  
Roxana Liana Stan ◽  
Luminita Simona Oprean
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Metal Ion ◽  
Planar Geometry ◽  
X Ray ◽  
Magnetic Methods ◽  
Square Planar ◽  
Ft Ir

A new Cu(II) complex with N-sulfonamide ligand, [Cu(N-(5-(4-methylphenyl)-[1,3,4]-thiadiazole-2-yl)-toluenesulfonamidate)4]((CH3)2NH2+)2(complex) has been synthesized and characterized. The X-ray crystal structure of the complex has been determined. The Cu(II) ion is four-coordinated, forming a CuN4 chromophore. The ligand acts as monodentate, coordinating the metal ion through a single Nthiadiazole atom. The complex has a square planar geometry. The characterization of the complex has been studied by FT-IR, electronic, EPR spectroscopic and magnetic methods.

scholarly journals Crystal structure of bis[μ-methoxy(pyridin-2-yl)methanolato-κ3N,O:O]bis[chloridocopper(II)]

2015 ◽  
Vol 71 (2) ◽  
pp. m44-m45 ◽  
Author(s):  
Sujirat Boonlue ◽  
Anchalee Sirikulkajorn ◽  
Kittipong Chainok
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Bidentate Ligand ◽  
Planar Geometry ◽  
Supramolecular Network ◽  
Centroid Distance ◽  
Square Planar ◽  
Cl Atom

The racemic title compound, [Cu2(C7H8NO2)2Cl2], is composed of dinuclear molecules in which methoxy(pyridin-2-yl)methanolate ligands bridge two symmetry-related CuIIions. Each CuIIion is coordinated in a square-planar geometry by one Cl atom, the N and O atoms of the bidentate ligand and the bridging O atom of the centrosymmetrically related bidentate ligand. The separation between the two CuIIatoms is 3.005 (1) Å. In the crystal, non-classical C—H...O hydrogen bonds, weak π–π stacking [centroid–centroid distance = 4.073 (1) Å] and weak electrostatic Cu...Cl interactions [3.023 (1) Å] link the dinuclear molecules into chains running parallel to thebaxis. These chains are further connected by weak C—H...Cl hydrogen bonds directed approximately along theaaxis, forming a three-dimensional supramolecular network.

scholarly journals Two mixed-ligand lanthanide–hydrazone complexes: [Pr(NCS)3(pbh)2]·H2O and [Nd(NCS)(NO3)(pbh)2(H2O)]NO3·2.33H2O [pbh isN′-(pyridin-2-ylmethylidene)benzohydrazide, C13H11N3O]

2016 ◽  
Vol 72 (2) ◽  
pp. 191-195 ◽  
Author(s):  
Damianos G. Paschalidis ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Structures ◽  
Coordination Polyhedron ◽  
Three Dimensional ◽  
Mixed Ligand ◽  
Nitrate Ion ◽  
Thiocyanate Ion ◽  
Hydrazone Complexes

The gel-mediated syntheses and crystal structures of [N′-(pyridin-2-ylmethylidene-κN)benzohydrazide-κ2N′,O]tris(thiocyanato-κN)praseodymium(III) monohydrate, [Pr(NCS)3(C13H11N3O)2]·H2O, (I), and aqua(nitrato-κ2O,O′)[N′-(pyridin-2-ylmethylidene-κN)benzohydrazide-κ2N′,O](thiocyanato-κN)neodymium(III) nitrate 2.33-hydrate, [Nd(NCS)(NO3)(C13H11N3O)2(H2O)]NO3·2.33H2O, (II), are reported. The Pr3+ion in (I) is coordinated by twoN,N,O-tridentateN′-(pyridin-2-ylmethylidene)benzohydrazide (pbh) ligands and threeN-bonded thiocyanate ions to generate an irregular PrN7O2coordination polyhedron. The Nd3+ion in (II) is coordinated by twoN,N,O-tridentate pbh ligands, anN-bonded thiocyanate ion, a bidentate nitrate ion and a water molecule to generate a distorted NdN5O5bicapped square antiprism. The crystal structures of (I) and (II) feature numerous hydrogen bonds, which lead to the formation of three-dimensional networks in each case.

scholarly journals Crystal structure of aqua{μ-N-[3-(dimethylamino)propyl]-N′-2-(oxidophenyl)oxamidato}(1,10-phenanthroline-5,6-dione)dicopper(II) perchlorate hemihydrate

2015 ◽  
Vol 71 (6) ◽  
pp. 667-670
Author(s):  
Xin Zhang ◽  
Yan-Tuan Li ◽  
Zhi-Yong Wu
Keyword(s):  
Water Molecule ◽  
Complex Cation ◽  
Three Dimensional ◽  
Planar Geometry ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The title compound, [Cu2(C13H16N3O3)(C12H6N2O2)(H2O)]ClO4·0.5H2O, consists of acis-oxamide-bridged binuclear CuIIcomplex cation, a perchlorate anion and half a solvent water molecule. One CuIIcation isN,N′,N",O-chelated by anN-[3-(dimethylamino)propyl]-N′-(2-hydroxyphenyl)oxamide trianion in a distorted square-planar geometry, whereas the other CuIIcation isO,O′-chelated by the oxamide moiety of the anion andN,N′-chelated by a 1,10-phenanthroline-5,6-dione molecule, and a water molecule further coordinates the second CuIIcation, completing a distorted square-pyramidal coordination geometry. In the crystal, classical O—H...O hydrogen bonds, weak C—H...O hydrogen-bonding interactions and π–π stacking interactions link the complex cations, anions and solvent water molecules into a three-dimensional supramolecular architecture. In the crystal, the dimethylaminopropyl unit of the oxamide anion is disordered over two positions with an occupancy ratio of 0.561 (11):0.439 (11); the solvent water molecule is also disordered over two positions, the occupancy ratio being 0.207 (10):0.293 (10).

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