scholarly journals Hydrogen Bond Interactions Between Water Molecules in Bulk Liquid, Near Electrode Surfaces and Around Ions

10.5772/21074 ◽  
2011 ◽  
Author(s):  
Abhishek Rastogi ◽  
Amit K. ◽  
SJ Suresh
Keyword(s):  
Hydrogen Bond ◽  
Bulk Liquid ◽  
Water Molecules ◽  
Electrode Surfaces ◽  
Hydrogen Bond Interactions

μ-4,4′-Bipyridine-κ2N:N′-bis[tetraaqua(4,4′-bipyridine-κN)dimanganese(II)] bis(4-aminobenzoate) bis(perchlorate)–4,4′-bipyridine–water (1/2/4): a supramolecular system constructed by π–π and hydrogen-bond interactions

2012 ◽  
Vol 68 (9) ◽  
pp. m255-m258 ◽  
Author(s):  
Jun Wang ◽  
Junlin Gao ◽  
Wenhua Zhao
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular System ◽  
Zigzag Chain ◽  
Manganese Compound ◽  
Face To Face ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral ◽  
Bipy Molecule

The title dinuclear manganese compound, [Mn2(C10H8N2)3(H2O)8](C7H6NO2)2(ClO4)2·2C10H8N2·4H2O, (I), has an inversion center located midway between the MnIIions. Each MnIIion has a distorted octahedral coordination environment, defined by two mutuallycisN atoms from two different 4,4′-bipyridine (4,4′-bipy) ligands and four O atoms from four water molecules. The asymmetric unit contains cationic [Mn(4,4′-bipy)1.5(H2O)4]2+, one isolated 4,4′-bipy molecule, one 4-aminobenzoate ion, one disordered perchlorate ion and two uncoordinated water molecules. In the dinuclear manganese cationic unit, one 4,4′-bipy acts as a bidentate bridging ligand between two MnIIions, while the other two act only as monodentate terminal ligands, giving rise to a `Z-type' [Mn2(4,4′-bipy)3(H2O)8] host unit. These host units are linked to each otherviaface-to-face π–π stacking interactions between monodentate terminal 4,4′-bipy ligands, generating a zigzag chain. The corners of these chains, defined by Mn(OH)4units, are surrounded by the solvent water molecules and the carboxylate O atoms of the 4-aminobenzoate ions, and all of these are connected to each otherviastrong O—H...O hydrogen-bond interactions, leading to a three-dimensional grid network with a large cavity running along thebaxis of the unit cell. The isolated 4,4′-bipy molecules, the 4-aminobenzoate and perchlorate anions and the water molecules are encapsulated in the cavities by numerous hydrogen-bond interactions.

Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties

2019 ◽  
Vol 75 (6) ◽  
pp. 1174-1185
Author(s):  
Larisa Shvanskaya ◽  
Olga Yakubovich ◽  
Polina Krikunova ◽  
Evgeny Ovchenkov ◽  
Alexander Vasiliev
Keyword(s):  
Magnetic Field ◽  
Hydrogen Bond ◽  
Thermodynamic Properties ◽  
Membered Ring ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Common Edge ◽  
X Ray ◽  
Hydrogen Bond Interactions ◽  
3D Framework

Three caesium-bearing borophosphates, Cs[BP2O6(OH)2] (I), Cs0.51Mn1.17(H2O)2[BP2O8]·0.45H2O (II) and CsMn[BP2O8(OH)] (III), were synthesized by a hydrothermal method at 473–523 K. Their crystal structures have been studied by means of single-crystal X-ray diffraction; all three structures comprise borophosphate chain anions with a B:P ratio of 1:2. The unique construction of (I) is based on four-membered-ring chains running parallel to the [010] direction. These protonated borophosphate chains are linked via hydrogen-bond interactions to form a 3D framework with caesium cations incorporated. (II) is the first Cs and Mn2+,Mn3+ member of a known family characterized by [BP2O8]∞ helical chains running along [001]. These chains are connected through MnO4(H2O)2 octahedra to form a 3D framework. The caesium cations are disordered over two independent positions in the channels, which they occupy together with water molecules. An additional MnO2(H2O)3 bipyramid statistically shares a common edge and two corners with three main Mn octahedra to form tetrameric clusters. The topological relation between the chain anionic fragments of (I) and (II) as well as the structural relation between (I) and previously studied boro- and berillophosphates are discussed. Compound (III) presents the first Mn member of the A I M III[BP2O8(OH)] family and is characterized by a 3D framework built by open-branched borophosphate chains and MnO5 semi-octahedra sharing vertices. The measurements of thermodynamic properties, i.e. magnetization M and specific heat C p, to 2 K and 30 T, provide evidence that (II) orders antiferromagnetically at the Néel temperature T N = 4.6 K and exhibits a plateau-like feature under the action of an external magnetic field accompanied by a pronounced magnetocaloric effect.

scholarly journals Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m666-m666 ◽  
Author(s):  
Nizar Elfaleh ◽  
Hassen Chouaib ◽  
Slaheddine Kamoun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, (C6H20N3)[BiCl6]·H2O, consists of a triprotonated bis(3-azaniumylpropyl)azanium cation, two halves of an octahedral [BiCl6]3−anion, each of the BiIIIatoms lying on an inversion centre, and a water molecule. In the crystal, the anions and water molecules are linked by O—H...Cl hydrogen bonds, forming chains running parallel to [0-11]. The anionic chains and the cations are further linked into a three-dimensional network by N—H...Cl and N—H...O hydrogen-bond interactions.

Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate

2016 ◽  
Vol 72 (4) ◽  
pp. 291-296 ◽  
Author(s):  
Meng-Ying Sun ◽  
Su-Xiang Wu ◽  
Xin-Bo Zhou ◽  
Jian-Ming Gu ◽  
Xiu-Rong Hu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Polymorphic Form ◽  
Water Molecules ◽  
Ether Group ◽  
Solvent Water ◽  
Hydrogen Bond Interactions ◽  
Hydrogen Bond Networks ◽  
Phenyl Rings ◽  
Group A

Regorafenib {systematic name: 4-[4-({[4-chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide}, C21H15ClF4N4O3, is a potent anticancer and anti-angiogenic agent that possesses various activities on the VEGFR, PDGFR, raf and/or flt-3 kinase signaling molecules. The compound has been crystallized as polymorphic form I and as the monohydrate, C21H15ClF4N4O3·H2O. The regorafenib molecule consists of biarylurea and pyridine-2-carboxamide units linked by an ether group. A comparison of both forms shows that they differ in the relative orientation of the biarylurea and pyridine-2-carboxamide units, due to different rotations around the ether group, as measured by the C—O—C bond angles [119.5 (3)° in regorafenib and 116.10 (15)° in the monohydrate]. Meanwhile, the conformational differences are reflected in different hydrogen-bond networks. Polymorphic form I contains two intermolecular N—H...O hydrogen bonds, which link the regorafenib molecules into an infinite molecular chain along thebaxis. In the monohydrate, the presence of the solvent water molecule results in more abundant hydrogen bonds. The water molecules act as donors and acceptors, forming N—H...O and O—H...O hydrogen-bond interactions. Thus,R42(28) ring motifs are formed, which are fused to form continuous spiral ring motifs along theaaxis. The (trifluoromethyl)phenyl rings protrude on the outside of these motifs and interdigitate with those of adjacent ring motifs, thereby forming columns populated by halogen atoms.

Two different one-dimensional CdIIhalide coordination polymers constructed through bridging carboxylate ligands

2015 ◽  
Vol 71 (11) ◽  
pp. 979-984 ◽  
Author(s):  
Xue-Li Hou ◽  
Hui-Ting Wang
Keyword(s):  
Hydrogen Bond ◽  
Water Molecules ◽  
Zigzag Chain ◽  
Two Dimensional ◽  
Carboxylate Ligands ◽  
One Dimensional ◽  
Hydrogen Bond Interactions ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Halide Complexes

Two cadmium halide complexes,catena-poly[[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis[μ2-4-(dimethylamino)pyridin-1-ium-1-acetate]-κ3O:O,O′;κ3O,O′:O], [CdCl2(C9H12N2O2)]n, (I), andcatena-poly[1-cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane [[dichloridocadmium(II)]-μ-oxalato-κ4O1,O2:O1′,O2′] monohydrate], {(C8H15N3)[CdCl2(C2O4)]·H2O}n, (II), were synthesized in aqueous solution. In (I), the CdIIcation is octahedrally coordinated by three O atoms from two carboxylate groups and by one terminal and two bridging chloride ligands. Neighbouring CdIIcations are linked together by chloride anions and bridging O atoms to form a one-dimensional zigzag chain. Hydrogen-bond interactions are involved in the formation of the two-dimensional network. In (II), each CdIIcation is octahedrally coordinated by four O atoms from two oxalic acid ligands and two terminal Cl−ligands. Neighbouring CdIIcations are linked together by oxalate groups to form a one-dimensional anionic chain, and the water molecules and organic cations are connected to this one-dimensional zigzag chain through hydrogen-bond interactions.

High proton conductivity in a nickel(ii) complex and its hybrid membrane

2019 ◽  
Vol 48 (6) ◽  
pp. 2190-2196 ◽  
Author(s):  
Shuai-Liang Yang ◽  
Yue-Ying Yuan ◽  
Fei Ren ◽  
Chen-Xi Zhang ◽  
Qing-Lun Wang
Keyword(s):  
Hydrogen Bond ◽  
Proton Conductivity ◽  
Hybrid Membrane ◽  
Water Molecules ◽  
Hybrid Membranes ◽  
High Proton Conductivity ◽  
High Proton ◽  
Hydrogen Bond Networks

A novel 2D nickel(ii) complex (1) has been successfully synthesized using a 2,2′-bipyridyl, polycarboxylsulfonate ligand H4SBTC and Ni2+ ions. Owing to the presence of abundant water molecules, hydrogen bond networks and other protons, 1 and its hybrid membranes demonstrate high proton conductivity.

scholarly journals Bis[2-(2-hydroxymethyl)pyridine-κ2N,O](pivalato-κO)copper(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1055-m1055 ◽  
Author(s):  
M. Mobin Shaikh ◽  
Veenu Mishra ◽  
Priti Ram ◽  
Anil Birla
Keyword(s):  
Hydrogen Bond ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Pyridine Ligands ◽  
Hydrogen Bond Interactions ◽  
Distorted Octahedral

The structure of the centrosymmetric title complex, [Cu(C5H9O2)2(C6H7NO)2], has the CuIIatom on a centre of inversion. The CuIIatom is six-coordinate with a distorted octahedral geometry, defined by the N and O atoms of the chelating 2-(2-hydroxymethyl)pyridine ligands and two carboxylate O atoms from two monodentate pivalate ions. The crystal packing is stabilized by intermolecular C—H...O and intramolecular O—H...O hydrogen-bond interactions.

Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid–N′-(propan-2-ylidene)nicotinohydrazide (1/1)

2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Powder Diffraction ◽  
Supramolecular Assembly ◽  
Covalent Bond ◽  
Analytical Tool ◽  
Powder Diffraction Data ◽  
Dihydroxybenzoic Acid ◽  
Bond Forming ◽  
Hydrogen Bond Interactions

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

scholarly journals Doubly ionic hydrogen bond interactions within the choline chloride–urea deep eutectic solvent

2016 ◽  
Vol 18 (27) ◽  
pp. 18145-18160 ◽  
Author(s):  
Claire R. Ashworth ◽  
Richard P. Matthews ◽  
Tom Welton ◽  
Patricia A. Hunt
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Analysis ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Hydrogen Bond Interactions

Computational analysis indicates flexibility and diversity in the hydrogen bonding, but limited charge delocalisation, within the choline chloride–urea eutectic.

scholarly journals Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN3)cobalt(II) pentahydrate

2009 ◽  
Vol 65 (6) ◽  
pp. m702-m702 ◽  
Author(s):  
Wen-Dong Song ◽  
Hao Wang ◽  
Shi-Jie Li ◽  
Pei-Wen Qin ◽  
Shi-Wei Hu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Organic Ligand ◽  
Octahedral Geometry ◽  
Mononuclear Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Hydrogen Bonding Interactions ◽  
Distorted Octahedral

In the title mononuclear complex, [Co(C9H4N2O4)(H2O)5]·5H2O, the CoIIatom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H...O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H...O hydrogen bond is also observed.

Sign in / Sign up

Export Citation Format

Share Document