More examples of the 15-crown-5...H2O—M—OH2...15-crown-5 motif, M = Al3+, Cr3+ and Pd2+

2010 ◽  
Vol 66 (2) ◽  
pp. 213-221 ◽  
Author(s):  
Maxime A. Siegler ◽  
Jacob H. Prewitt ◽  
Steven P. Kelley ◽  
Sean Parkin ◽  
John P. Selegue ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Literature Survey ◽  
The Other ◽  
Water Molecules ◽  
Lattice Water ◽  
Hydrogen Bonding Pattern ◽  
Hydrogen Bonded

Five structures of co-crystals grown from aqueous solutions equimolar in 15-crown-5 (or 15C5) and [M(H2O)6](NO3) n , M = Al3+, Cr3+ and Pd2+, are reported. The hydrogen-bonding patterns in all are similar: metal complexes including the fragment trans-H2O—M—OH2 alternate with 15C5 molecules, to which they are hydrogen bonded, to form stacks. A literature survey shows that this hydrogen-bonding pattern is very common. In each of the two polymorphs of the compound [Al(H2O)6](NO3)3·15C5·4H2O there are two independent cations; one forms hydrogen bonds directly to the 15C5 molecules adjacent in the stack, while the other cation is hydrogen-bonded to two water molecules that act as spacers in the stack. These stacks are then crosslinked by hydrogen bonds formed by the three nitrate counterions and the three lattice water molecules. The hydrogen-bonded stacks in [Cr(H2O)5(NO3)](NO3)2·1.5(15C5)·H2O are discrete rather than infinite; each unit contains two Cr3+ complex cations and three 15C5 molecules. These units are again crosslinked by the uncoordinated nitrate ions and a lattice water molecule. In [Pd(H2O)2(NO3)2]·15C5 the infinite stacks are electrically neutral and are not crosslinked. In [Pd(H2O)2(NO3)2]·2(15C5)·2H2O·2HNO3 a discrete, uncharged unit containing one Pd complex and two 15C5 molecules is `capped off' at either end by a lattice water molecule and an included nitric acid molecule. In all five structures the infinite stacks or discrete units form an array that is at least approximately hexagonal.

scholarly journals (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Yassir Filali Baba ◽  
Youssef Kandri Rodi ◽  
Younes Ouzidan ◽  
Joel T. Mague ◽  
Fouad Ouazzani Chahdi ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Lattice Water Molecule ◽  
Axis Direction ◽  
Lattice Water ◽  
Disordered Lattice ◽  
Compound C

In the title compound, C22H17N3O3·0.5H2O, the heterocyclic portion of the dihydroquinoline moiety is distinctly nonplanar. Two quinolinecarboxylate molecules are associated through hydrogen bonding to a disordered lattice water molecule. These units stack along the a-axis direction assisted by C—H...O and C—H...N hydrogen bonds, as well as C—H...π(ring) interactions.

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 Tetrakis(dipropylammonium) tetrakis(oxalato-κ2O1,O2)stannate(IV) monohydrate: a complex with an eight-coordinate SnIVatom

2014 ◽  
Vol 70 (2) ◽  
pp. m49-m50 ◽  
Author(s):  
Ndongo Gueye ◽  
Libasse Diop ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Mirror Symmetry ◽  
Lattice Water Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Special Position ◽  
Lattice Water ◽  
Dimensional Network ◽  
Anions And Cations

In the title salt, [(CH3CH2CH2)2NH2]4[Sn(C2O4)4]·H2O, the SnIVatom of the stannate anion is located on a special position with -42msymmetry. It is eight-coordinated by four chelating oxalate anions. The dipropylammonium cation possesses mirror symmetry while the lattice water molecule is disordered about a position with -42msymmetry and has an occupancy of 0.25. In the crystal, the anions and cations are linked by N—H...O hydrogen bonds, forming a three-dimensional network. This network is futher stabilized by weak O—H...O hydrogen bonds involving the water molecules and oxalate O atoms. The crystal studied was refined as an inversion twin.

scholarly journals Redetermination of nickel(II) formate dihydrate

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Hydrogen Bonding Pattern ◽  
Medium Strength

In comparison with the previous structure determination of poly[diaquadi-μ-formato-nickel(II)], [Ni(HCOO)2(H2O)2]n, based on Weissenberg film data [Krogmann & Mattes (1963).Z. Kristallogr.118, 291–302], the current redetermination from modern CCD data revealed the positions of the H atoms, thus making a detailed description of the hydrogen-bonding pattern possible. Both Ni2+cations in the crystal structure are located on inversion centres and are octahedrally coordinated. One Ni2+cation is bound to six O atoms of six formate anions whereas the other Ni2+cation is bound to four O atoms of water molecules and to two formate O atoms. In this way, the formate anions bridge the two types of Ni2+cations into a three-dimensional framework. O—H...O hydrogen bonds of medium strength between water molecules and formate O atoms consolidate the packing.

scholarly journals Cyclooctanaminium hydrogen succinate monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1204-o1204 ◽  
Author(s):  
Sanaz Khorasani ◽  
Manuel A. Fernandes
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Ammonium Cation ◽  
Water Molecules ◽  
Hydrated Salt ◽  
A Chain ◽  
Hydrogen Bonded

In the title hydrated salt, C8H18N+·C4H5O4−·H2O, the cyclooctyl ring of the cation is disordered over two positions in a 0.833 (3):0.167 (3) ratio. The structure contains various O—H.·O and N—H...O interactions, forming a hydrogen-bonded layer of molecules perpendicular to thecaxis. In each layer, the ammonium cation hydrogen bonds to two hydrogen succinate anions and one water molecule. Each hydrogen succinate anion hydrogen bonds to neighbouring anions, forming a chain of molecules along thebaxis. In addition, each hydrogen succinate anion hydrogen bonds to two water molecules and the ammonium cation.

scholarly journals Two New Polyiodides in the 4,4´-Bipyridinium Diiodide/Iodine System

2012 ◽  
Vol 67 (1) ◽  
pp. 5-10
Author(s):  
Guido J. Reiss ◽  
Martin van Megen
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Complex I ◽  
The Other ◽  
Cyclic Dimer ◽  
Water Molecules ◽  
Spectroscopic Methods ◽  
Halogen Bonds ◽  
One Dimensional ◽  
Hydroiodic Acid

The reaction of bipyridine with hydroiodic acid in the presence of iodine gave two new polyiodide-containing salts best described as 4,4´-bipyridinium bis(triiodide), C10H10N2[I3]2, 1, and bis(4,4´-bipyridinium) diiodide bis(triiodide) tris(diiodine) solvate dihydrate, (C10H10N2)2I2[I3]2 · 3 I2 ·2H2O, 2. Both compounds have been structurally characterized by crystallographic and spectroscopic methods (Raman and IR). Compound 1 is composed of I3 − anions forming one-dimensional polymers connected by interionic halogen bonds. These chains run along [101] with one crystallographically independent triiodide anion aligned and the other triiodide anion perpendicular to the chain direction. There are no classical hydrogen bonds present in 1. The structure of 2 consists of a complex I144− anion, 4,4´-bipyridinium dications and hydrogen-bonded water molecules in the ratio of 1 : 2 : 2. The I144− polyiodide anion is best described as an adduct of two iodide and two triiodide anions and three diiodine molecules. Two 4,4´-bipyridinium cations and two water molecules form a cyclic dimer through N-H· · ·O hydrogen bonds. Only weak hydrogen bonding is found between these cyclic dimers and the polyiodide anions.

scholarly journals Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate

2018 ◽  
Vol 74 (9) ◽  
pp. 1295-1298
Author(s):  
Jan Fábry
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Secondary Amine ◽  
Symmetry Plane ◽  
Structural Features ◽  
Water Molecules ◽  
Amine Groups

Two of the constituent molecules in the title structure, 2C6H7N2O+·HPO3 2−·H2O, i.e. the phosphite anion and the water molecule, are situated on a symmetry plane. The molecules are held together by moderate N—H...O and O—H...N, and weak O—H...O and C—H...Ocarbonyl hydrogen bonds in which the amide and secondary amine groups, and the water molecules are involved. The structural features are usual, among them the H atom bonded to the P atom avoids hydrogen bonding.

scholarly journals Bis[tris(propane-1,3-diamine-κ2N,N′)nickel(II)] diaquabis(propane-1,3-diamine-κ2N,N′)nickel(II) hexabromide dihydrate

2014 ◽  
Vol 70 (6) ◽  
pp. m227-m228 ◽  
Author(s):  
Aymen Yangui ◽  
Walid Rekik ◽  
Slim Elleuch ◽  
Younes Abid
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
General Position ◽  
Three Dimensional ◽  
The Other ◽  
Octahedral Coordination ◽  
Water Molecules ◽  
Coordination Environment ◽  
Lattice Water ◽  
Dimensional Network

In the title compound, [Ni(C3H10N2)3]2[Ni(C3H10N2)2(H2O)2]Br6·2H2O, one Ni2+cation, located on an inversion centre, is coordinated by four N atoms from two ligands and by two water O atoms. The other Ni2+cation, located in a general position, is coordinated by six N atoms from three ligands. In both cases, the Ni2+cation has an octahedral coordination environment. The overall structural cohesion is ensured by three types of hydrogen bonds, N—H...Br, O—H...Br and O—H...O, which connect the two types of complex cations, the bromide counter-anions and the lattice water molecules into a three-dimensional network.

Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network

2021 ◽  
Vol 77 (2) ◽  
pp. 211-218
Author(s):  
Ivica Cvrtila ◽  
Vladimir Stilinović
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
The Other ◽  
Two Dimensional ◽  
Structural Motifs ◽  
Supramolecular Isomerism ◽  
Other Hand ◽  
Π Stacking ◽  
Hydrogen Bonded

The crystal structures of two polymorphs of a phenazine hexacyanoferrate(II) salt/cocrystal, with the formula (Hphen)3[H2Fe(CN)6][H3Fe(CN)6]·2(phen)·2H2O, are reported. The polymorphs are comprised of (Hphen)2[H2Fe(CN)6] trimers and (Hphen)[(phen)2(H2O)2][H3Fe(CN)6] hexamers connected into two-dimensional (2D) hydrogen-bonded networks through strong hydrogen bonds between the [H2Fe(CN)6]2− and [H3Fe(CN)6]− anions. The layers are further connected by hydrogen bonds, as well as through π–π stacking of phenazine moieties. Aside from the identical 2D hydrogen-bonded networks, the two polymorphs share phenazine stacks comprising both protonated and neutral phenazine molecules. On the other hand, the polymorphs differ in the conformation, placement and orientation of the hydrogen-bonded trimers and hexamers within the hydrogen-bonded networks, which leads to different packing of the hydrogen-bonded layers, as well as to different hydrogen bonding between the layers. Thus, aside from an exceptional number of symmetry-independent units (nine in total), these two polymorphs show how robust structural motifs, such as charge-assisted hydrogen bonding or π-stacking, allow for different arrangements of the supramolecular units, resulting in polymorphism.

Hydrogen-Bonded Three-Dimensional Molecular Architectures Featuring Carboxylate - Imidazole - Zinc Triad Systems

2002 ◽  
Vol 55 (11) ◽  
pp. 741 ◽  
Author(s):  
Jin-Hua Yang ◽  
Shao-Liang Zheng ◽  
Jun Tao ◽  
Gao-Feng Liu ◽  
Xiao-Ming Chen
Keyword(s):  
Hydrogen Bonds ◽  
Critical Role ◽  
Three Dimensional ◽  
Water Molecules ◽  
Molecular Architecture ◽  
Lattice Water ◽  
Carboxylate Oxygen ◽  
Polymeric Chains ◽  
Molecular Architectures ◽  
Hydrogen Bonded

Two complexes, [Zn(Him)2(mpa)] (1) and [Zn(Him)2(tpa)]·H2O (2) (Him = imidazole, mpa = m-phthalate, and tpa = terephthalate), have been prepared and structurally characterized, revealing two different three-dimensional hydrogen-bonded molecular architectures. Each features [Zn(Him)2(dicarboxylate)] zigzag polymeric chains and intermolecular N–H…O hydrogen bonds between the uncoordinated Him nitrogen atoms and carboxylate oxygen atoms that are similar to the carboxylate–histidine–zinc triad systems in zinc(II) enzymes. The lattice water molecules in complex (2) play a critical role in the formation of a three-dimensional hydrogen-bonded molecular architecture.

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