The structure of {[Co(pht)(bpy)(H2O)]·3H2O} n (pht is phthalate and bpy is 4,4′-bipyridine) and the role of solvent water clusters in structure stability

2014 ◽  
Vol 70 (5) ◽  
pp. 440-444 ◽  
Author(s):  
Miguel Angel Harvey ◽  
Sebastián Suarez ◽  
Fabio Doctorovich ◽  
Fabio D. Cukiernik ◽  
Ricardo Baggio
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Coordination Polymers ◽  
Water Clusters ◽  
Structure Stability ◽  
Water Molecules ◽  
Solvent Water ◽  
Coordinated Water ◽  
Role Of Solvent

The CoII cation in poly[[aqua(μ-benzene-1,2-dicarboxylato-κ3 O 1,O 2:O 1)(μ-4,4′-bipyridine-κ2 N:N′)cobalt(II)] trihydrate], {[Co(C8H4O4)(C10H8N2)(H2O)]·3H2O} n , is octahedrally coordinated by two N atoms of two 4,4′-bipyridine ligands, three O atoms from phthalate anions and a fourth O atom from a coordinated water molecule. The packing consists of planes of coordination polymers linked by hydrogen bonds mediated by three solvent water molecules; the linkage is achieved by the water molecules forming intricate oligomeric clusters which also involve the O atoms of the phthalate ligands.

scholarly journals Poly[[bis(μ-3-amino-5-carboxybenzoato-κ2N:O1)diaquazinc] dihydrate]

2012 ◽  
Vol 68 (8) ◽  
pp. m1088-m1088
Author(s):  
Kou-Lin Zhang ◽  
Ting-Ting Qiu ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Polymeric Compound ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Distorted Octahedral ◽  
Coordinated Water

The ZnIIatom in the title polymeric compound, {[Zn(C8H6NO4)2(H2O)2]·2H2O}n, lies on a center of inversion and is coordinated by two amine N atoms and two carboxylate O atoms from two 3-amino-5-carboxybenzoate anions along with two water molecules in a distorted octahedral geometry. The bridging nature of the anion generates a layer motif parallel to (100). Hydrogen bonds of the N—H...O and O—H...O types exist in the structure. One H atom of the coordinated water molecule and one H atom of the solvent water molecule are each disordered over two positions in a 1:1 ratio.

Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(hexafluoridophosphate) monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2682-m2683 ◽  
Author(s):  
Xianfu Zheng ◽  
Caoyuan Niu ◽  
Xinsheng Wan ◽  
Chunhong Kou
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Metal Center ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water

The title mononuclear MnII complex, [Mn(C13H14N2)4(H2O)2](PF6)2·H2O, is isostructural with the previously reported ZnII complex. The metal center is coordinated by four monodentate 1,3-di-4-pyridylpropane (L1) ligands and two water molecules. One L1 ligand is affected by disorder of two propane C atoms, which are distributed over two positions, with occupancies 0.771 (8)/0.229 (8). The asymmetric unit is completed by one solvent water molecule and two PF6 − anions, both disordered over two positions, with occupancies for F atoms of 0.621 (10)/0.379 (10) for one anion and 0.69 (2)/0.31 (2) for the other. Uncoordinated N atoms of pyridyl groups belonging to L1 and water molecules are involved in hydrogen bonds, with D...A separations ranging from 1.85 (4) to 2.07 (4) Å and D—H...A angles from 169 (3) to 174 (4)°.

scholarly journals (E)-4-Methoxy-N′-[(6-methyl-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate

2014 ◽  
Vol 70 (7) ◽  
pp. o784-o784 ◽  
Author(s):  
Yoshinobu Ishikawa ◽  
Kohzoh Watanabe
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Solvent Water ◽  
Centroid Distance

In the title hydrate, C19H16N2O4·H2O, the 4H-chromen-4-one segment is slightly twisted, with a dihedral angle between the two six-membered rings of 3.30 (5)°. The dihedral angles between the plane of the pyranone ring and the hydrazide plane and between the planes of the pyranone ring and the benzene ring of thep-methoxybenzene unit are 26.69 (4) and 2.23 (3)°, respectively. The molecule is connected to the solvent water molecule by an N—H...O hydrogen bond. In the crystal, there are π–π stacking interactions between centrosymmetrically related pyranone rings [centroid–centroid distance = 3.5394 (9) Å], as well as bridges formed by the water moleculesviaO—H...O hydrogen bonds.

scholarly journals (S,Z)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. o169-o170
Author(s):  
Alex Fabiani Claro Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Lucas Pizzuti ◽  
Patrick Teixeira Campos
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Propanoic Acid ◽  
Water Molecules ◽  
Solvent Water ◽  
Compound C

In the title compound, C17H18Cl3NO5·H2O, intramolecular N—H...O and C—H...Cl hydrogen bonds formS(6) andS(5) ring motifs, respectively. The chiral organic molecule is connected to the solvent water molecule by a short O—H...O hydrogen bond. In the crystal, a weak C—H...Cl interaction connects the organic molecules along [100] while the water molecules act as bridges between the organic molecules in both the [100] and [010] directions, generating layers parallel to theabplane.

scholarly journals catena-Poly[[(tetraaquacadmium)-μ-4,4′-bipyridine-κ2 N:N′] 4-hydroxy-3-sulfonatobenzoate monohydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m715-m715
Author(s):  
Shan Gao ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Lattice Water ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Coordinated Water

The two independent CdII atoms in the polymeric title compound, [Cd(C10H8N2)(H2O)4](C7H4O6S)·H2O, lie on twofold rotation axes, and each is coordinated by four water molecules and the N atoms of two 4,4′-bipyridine molecules in an octahedral geometry. Bridging gives rise to chains along [101] and [-101]. The 4-hydroxy-3-sulfonatobenzoate dianions are not connected to the CdII atoms, but form hydrogen bonds to the coordinated water molecules as well as the lattice water molecule, generating a three-dimensional network.

scholarly journals (μ-2,2′,2′′,2′′′-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate

IUCrData ◽  
2021 ◽  
Vol 6 (12) ◽  
Author(s):  
Jessica Pacifico ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Binuclear Complex ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Binuclear Complexes ◽  
Supramolecular Framework ◽  
Tetraacetic Acid ◽  
Asymmetric Unit ◽  
Solvent Water

Reaction of the ligand 2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetic acid (H4L1), with NiCl2 leads to the formation of a binuclear complex, (μ-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ5 O,S,N 1,S′,O′:κ5 O′′,S′′,N 4,S′′′,O′′′)bis[aquanickel(II)] heptahydrate, {[Ni2(C16H16N2O8S4)(H2O)2]·7H2O} (I). It crystallizes with two half molecules in the asymmetric unit. The complete molecules are generated by inversion symmetry, with the center of the pyrazine rings being located at crystallographic centres of inversion. The ligand coordinates two NiII ions in a bis-pentadentate manner and the sixfold coordination sphere of each nickel(II) atom (NiS2O3N) is completed by a water molecule. The complex crystallized as a hepta-hydrate. The binuclear complexes are linked by Owater—H...Ocarbonyl hydrogen bonds, forming layers parallel to the (101) plane. This layered structure is additionally stabilized by weak C—H...O hydrogen bonds. Further O—H...O hydrogen bonds involving binuclear complexes and solvent water molecules, together with weak C—H...S hydrogen bonds, link the layers to form a supramolecular framework.

scholarly journals Poly[[diaquabis[μ4-5-nitroisophthalato-κ4O1:O1:O3:O3′]bis[μ3-pyridine-4-carboxylato-κ3O:O′:N]tricobalt(II)] tetrahydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m451-m452
Author(s):  
Xia Yin ◽  
Jun Fan ◽  
Jingling Xin ◽  
Shengrun Zheng ◽  
Weiguang Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Free Water ◽  
Water Molecules ◽  
Two Dimensional ◽  
Lattice Water ◽  
Free Water Molecule ◽  
Carboxylate Groups ◽  
Coordinated Water

The title compound, {[Co3(C6H4NO2)2(C8H3NO6)2(H2O)2]·4H2O}n, exhibits a two-dimensional layer-like structure in which the CoIIions exhibit two kinds of coordination geometries. One nearly octahedral CoIIion with crystallographic inversion symmetry is coordinated to six carboxylate O atoms from four bridging 5-nitroisophthalate (NIPH) ligands and two isonicotinate (IN) anions, while the other type of CoIIion binds with one N atom and one carboxylate O atom from two IN anions, two carboxylate O atoms from two different NIPH anions and one ligated water molecule, displaying a distorted square-pyramidal coordination geometry. Three adjacent CoIIions are bridged by six carboxylate groups from four NIPH ligands and two IN anions to form a linear trinuclear secondary building unit (SBU). Every trinuclear SBU is linked to its nearest neighbours in theabplane, resulting in a two-dimensional layer-like structure perpendicular to thecaxis. Along thea-axis direction neighbouring molecules are connected through carboxylate and pyridyl units of the IN anions, along thebaxis through carboxylate groups of the NIPH ligands. The H atoms of one free water molecule are disordered in the crystal in a 1:1 ratio. Typical O—H...O hydrogen bonds are observed in the lattice, which include the following contacts: (a) between coordinated water molecules and carboxylate O atoms of the NIPH anions, (b) between lattice water molecules and carboxylate O atoms of the NIPH anions, and (c) between coordinated and lattice water molecules. These intermolecular hydrogen bonds connect the two-dimensional layers to form a three-dimensional supramolecular structure.

catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]

2007 ◽  
Vol 63 (11) ◽  
pp. m2646-m2647 ◽  
Author(s):  
Jing Li ◽  
Dapeng Dong ◽  
Yanyu Zhu ◽  
Zhengang Sun ◽  
Hui Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Hydrothermal Reaction ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Coordinated Water ◽  
Hydroxy Groups

The title compound, [Cu{HO3PCH(OH)CO2}(H2O)]·2H2O, was prepared by a hydrothermal reaction. The distorted square-pyramidal coordination geometry of copper(II) is built up of one phosphonate O atom, one hydroxy O atom, two carboxylate O atoms and one water molecule. In the crystal structure, a number of O—H...O hydrogen bonds involving the hydroxy groups, carboxylate O atoms, phosphonate O atoms, and uncoordinated and coordinated water molecules are found.

Aqua(L-aspartato-κ2 N,O)(2,2′-bipyridine-κ2 N,N)copper(II) pentahydrate

2006 ◽  
Vol 62 (5) ◽  
pp. m965-m967 ◽  
Author(s):  
Hong-Jian Zhao ◽  
Ming-Xing Li ◽  
Min Shao ◽  
Hong-Jiang Liu
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
Pyramidal Geometry ◽  
Bipyridine Ligand ◽  
Coordinated Water ◽  
Square Pyramidal Geometry

In the title compound, [Cu(C4H5NO4)(C10H8N2)(H2O)]·5H2O, the CuII atom is coordinated by an N,O-bidentate L-aspartate dianion, a bipyridine ligand and a water molecule in a distorted square-pyramidal geometry. Intermolecular hydrogen bonds involving the non-coordinated water molecules help to consolidate the crystal packing.

scholarly journals Neutral and Cationic Chelidonate Coordination Polymers with N,N’-Bridging Ligands

Chemistry ◽  
2021 ◽  
Vol 3 (1) ◽  
pp. 256-268
Author(s):  
Rosa Carballo ◽  
Ana Belén Lago ◽  
Arantxa Pino-Cuevas ◽  
Olaya Gómez-Paz ◽  
Nuria Fernández-Hermida ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Single Crystals ◽  
Coordination Sphere ◽  
Coordination Polymers ◽  
Crystal Packing ◽  
Water Molecules ◽  
Bridging Ligands ◽  
Bridging Ligand

The biomolecule chelidonic acid (H2chel, 4-oxo-4H-pyran-2,6-dicarboxylic acid) has been used to build new coordination polymers with the bridging N,N’-ligands 4,4′-bipyridine (4,4-bipy) and 1,2-bis(4-pyridyl)ethane (bpe). Four compounds have been obtained as single crystals: 1D cationic coordination polymers [M(4,4-bipy)(OH2)4]2+ with chelidonate anions and water molecules in the second coordination sphere in 1∞[Zn(4,4-bipy)(H2O)4]chel·3H2O (2) and in the two pseudopolymorphic 1∞[Cu(4,4-bipy)(H2O)4]chel·nH2O (n = 3, 4a; n = 6, 4b), and the 2D neutral coordination polymers 2∞[Zn(chel)(4,4-bipy)(H2O)]·2H2O (1) and 2∞[Zn(chel)(bpe)(H2O)]·H2O (3) where the chelidonate anion acts as a bridging ligand. The effects of the hydrogen bonds on the crystal packing were analyzed. The role of the water molecules hosted within the crystals lattices was also studied.

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