scholarly journals Water molecules insert into N—H...Cl—M hydrogen bonds while M—Cl...X—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates

2004 ◽  
Vol 60 (5) ◽  
pp. 512-519 ◽  
Author(s):  
Fiorenzo Zordan ◽  
Lee Brammer
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Water Molecules ◽  
Halogen Bonds ◽  
Polymorphic Forms ◽  
Molecular Components ◽  
Iodo Derivative

The crystal structures of the 3-halopyridinium hexachloroplatinate(IV) dihydrates (HPyX-3)2[PtCl6]·2H2O [(1), X = Br; (2a), (2b), X = I] comprise networks in which the molecular components are linked via N—H...O and O—H...Cl—Pt hydrogen bonds and Pt—Cl...X—C halogen bonds (X = Br, I). The iodo derivative has been isolated in two polymorphic forms. Of particular interest to the understanding of the utility of the hydrogen bonds and M—X...X′—C halogen bonds that propagate the networks in anhydrous salts of this type is that the water molecules insert exclusively into the putative N—H...Cl—Pt hydrogen bonds, while the Pt—Cl...X′—C halogen bonds remain undisrupted by the presence of water molecules.

Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of N-(pyridin-2-yl)amides

2021 ◽  
Author(s):  
Amila M. Abeysekera ◽  
Boris B. Averkiev ◽  
Pierre Le Magueres ◽  
Christer B. Aakeröy
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Halogen Bond ◽  
Electrostatic Potentials ◽  
Halogen Bonds ◽  
Molecular Electrostatic Potentials

The roles played by halogen bonds and hydrogen bonds in the crystal structures of N-(pyridin-2-yl)amides were evaluated and rationalised in the context of calculated molecular electrostatic potentials.

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 Crystal structures of the dioxane hemisolvates ofN-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide and bis[N-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide]

2017 ◽  
Vol 73 (10) ◽  
pp. 1409-1413 ◽  
Author(s):  
Robert Rosin ◽  
Wilhelm Seichter ◽  
Monika Mazik
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Lone Electron Pair ◽  
Electron Pair ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Halogen Bonds ◽  
Host Interactions ◽  
Compound Ii ◽  
Noncovalent Bonding

The syntheses and crystal structures ofN-(7-bromomethyl-1,8-naphthyridin-2-yl)acetamide dioxane hemisolvate, C11H10BrN3O·0.5C4H8O2, (I), and bis[N-(7-dibromomethyl-1,8-naphthyridin-2-yl)acetamide] dioxane hemisolvate, 2C11H9Br2N3O·0.5C4H8O2, (II), are described. The molecules adopt a conformation with the N—H hydrogen pointing towards the lone electron pair of the adjacent naphthyridine N atom. The crystals of (I) are stabilized by a three-dimensional supramolecular network comprising N—H...N, C—H...N and C—H...O hydrogen bonds, as well as C—Br...π halogen bonds. The crystals of compound (II) are stabilized by a three-dimensional supramolecular network comprising N—H...N, C—H...N and C—H...O hydrogen bonds, as well as C—H...π contacts and C—Br...π halogen bonds. The structure of the substituent attached in the 7-position of the naphthyridine skeleton has a fundamental influence on the pattern of intermolecular noncovalent bonding. While the Br atom of (I) participates in weak C—Br...Oguestand C—Br...π contacts, the Br atoms of compound (II) are involved in host–host interactionsviaC—Br...O=C, C—Br...N and C—Br...π bonding.

Polysulfonylamine, CLXXXVIII [1]. Kristallstrukturen von drei Dimethylammonium-di(4-halogenbenzolsulfonyl)amiden (Halogen = Cl, Br, I) und von Dimethylammonium-di(4-methylbenzolsulfonyl)amid: Eine isotype Reihe mit strukturbestimmenden starken Wasserstoffbrücken und beiläufigen Halogenbrücken/ Polysulfonylamines, CLXXXVIII. Crystal Structures of Three Dimethylammonium Di(4-halobenzenesulfonyl)amides (Halogen = Cl, Br, I) and of Dimethylammonium Di(4-methylbenzenesulfonyl)amide: An Isotypical Series Featuring Strong Structure-determining Hydrogen Bonds and Incidental Halogen Bonds

2010 ◽  
Vol 65 (10) ◽  
pp. 1258-1266 ◽  
Author(s):  
Christoph Wölper ◽  
Alejandra Rodríguez-Gimeno ◽  
Matthias Freytag ◽  
Peter G. Jones ◽  
Armand Blaschette
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Causative Factor ◽  
Monoclinic Space Group ◽  
Halogen Bonds ◽  
Space Group ◽  
Dimethylammonium Chloride ◽  
Hydrogen Bonded

The four title compounds, Me2NH2+·(4-Cl/Br/I/Me-C6H4-SO2)2N-, were obtained by metathesis of dimethylammonium chloride with the corresponding silver di(arenesulfonyl)amides. The products crystallize isotypically in the monoclinic space group Cc (Z = 4, Z´ = 1). In each structure, the ionic entities associate into hydrogen-bonded chains, which propagate along the c axis of the crystals and consist of alternating cations and anions held together by charge-assisted N+-H· · ·N− and N+- H(· · ·O)2 hydrogen bonds. In the three structures containing 4-halobenzenesulfonyl groups, each hydrogen-bonded chain is linked to four neighboring chains by pairs of C-Cl/Br/I· · ·O halogen bonds, which at first sight seem to be the causative factor in the formation of catemeric head-to-tail arrays of anions propagating along the ab face diagonals. On suppressing these halogen bonds by means of halogen-methyl exchange, all essential features of the packing architecture, including the anion headto- tail arrays, are precisely maintained. It may be thus inferred that the halogen bonds occurring in the first three compounds are supportive incidentals, but do not play any structure-determining role.

scholarly journals (NH4)Mg(HSO4)(SO4)(H2O)2 and NaSc(CrO4)2(H2O)2, two crystal structures comprising kröhnkite-type chains, and the temperature-induced phase transition (NH4)Mg(HSO4)(SO4)(H2O)2\rightleftharpoons (NH4)MgH(SO4)2(H2O)2

2021 ◽  
Vol 77 (3) ◽  
pp. 144-151
Author(s):  
Matthias Weil ◽  
Uwe Kolitsch
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Room Temperature ◽  
Classification Scheme ◽  
Three Dimensional ◽  
Structure Type ◽  
Group Symmetry ◽  
Water Molecules

The crystal structure of the mineral kröhnkite, Na2Cu(SO4)2(H2O)2, contains infinite chains composed of [CuO4(OH2)2] octahedra corner-linked with SO4 tetrahedra. Such or similar tetrahedral–octahedral `kröhnkite-type' chains are present in the crystal structures of numerous compounds with the composition AnM(XO4)2(H2O)2. The title compounds, (NH4)Mg(HSO4)(SO4)(H2O)2, ammonium magnesium hydrogen sulfate sulfate dihydrate, and NaSc(CrO4)2(H2O)2, sodium scandium bis(chromate) dihydrate, are members of the large family with such kröhnkite-type chains. At 100 K, (NH4)Mg(HSO4)(SO4)(H2O)2 has an unprecedented triclinic crystal structure and contains [MgO4(OH2)2] octahedra linked by SO3(OH) and SO4 tetrahedra into chains extending parallel to [\overline{1}10]. Adjacent chains are linked by very strong hydrogen bonds between SO3(OH) and SO4 tetrahedra into layers parallel to (111). Ammonium cations and water molecules connect adjacent layers through hydrogen-bonding interactions of medium-to-weak strength into a three-dimensional network. (NH4)Mg(HSO4)(SO4)(H2O)2 shows a reversible phase transition and crystallizes at room temperature in structure type E in the classification scheme for structures with kröhnkite-type chains, with half of the unit-cell volume for the resulting triclinic cell, and with disordered H atoms of the ammonium tetrahedron and the H atom between two symmetry-related sulfate groups. IR spectroscopic room-temperature data for the latter phase are provided. Monoclinic NaSc(CrO4)2(H2O)2 adopts structure type F1 in the classification scheme for structures with kröhnkite-type chains. Here, [ScO4(OH2)2] octahedra (point group symmetry \overline{1}) are linked by CrO4 tetrahedra into chains parallel to [010]. The Na+ cations (site symmetry 2) have a [6 + 2] coordination and connect adjacent chains into a three-dimensional framework that is consolidated by medium–strong hydrogen bonds involving the water molecules. Quantitative structural comparisons are made between NaSc(CrO4)2(H2O)2 and its isotypic NaM(CrO4)2(H2O)2 (M = Al and Fe) analogues.

scholarly journals Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks

2018 ◽  
Vol 74 (10) ◽  
pp. 1411-1416 ◽  
Author(s):  
William Holmes ◽  
David B. Cordes ◽  
Alexandra M. Z. Slawin ◽  
William T. A. Harrison
Keyword(s):  
Data Collection ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Aromatic Amines ◽  
Water Molecules ◽  
Extended Structure ◽  
Π Interactions ◽  
Vertex Sharing

The solution-mediated syntheses and crystal structures of catena-poly[bis(2-amino-3-hydroxypyridinium) [zinc-di-μ-phosphonato] dihydrate], {(C5H7N2O)[Zn(HPO3)2]·2H2O} n , (I), and poly[(benzene-1,2-diamine)(μ5-phosphonato)zinc], [Zn(HPO3)(C6H8N2)] n , (II) are described. The extended structure of (I) features [010] anionic chains of vertex-sharing ZnO4 tetrahedra and HPO3 pseudopyramids; these chains are characterized by disorder over major [occupancy 0.7962 (13)] and minor [0.2038 (13)] components, which can be superimposed on each other by a nominal translational shift. The 2-amino-3-hydroxypyridinium cations and water molecules of crystallization interact with the ZnPO chains by way of numerous O—H...O and N—H...O hydrogen bonds. The structure of (II) features a direct Zn—N bond to the neutral 1,2-diaminobenzene species as part of ZnO3N tetrahedra as well as HPO3 pseudopyramids. The Zn- and P-centred groupings are linked through their O-atom vertices into infinite (010) sheets and the structure is consolidated by N—H...O hydrogen bonds and N—H...π interactions. The crystal of (I) chosen for data collection was found to be an inversion twin in a 0.56 (2):0.44 (2) domain ratio.

scholarly journals Metallkomplexe mit Guanidinderivaten als Liganden: Kristallstrukturen von [Zn(cnge)2(SCN)2] · 2H2O und Zn(eoge)Br2 (enge = Cyanoguanidin; eoge = 1-Ethoxyiminomethylguanidin) / Metal Complexes with Guanidine Derivatives as Ligands: Crystal Structures of [Zn(cnge)2(SCN)2]·2H2O und Zn(eoge)Br2 (cnge = Cyanoguanidine; eoge = 1-Ethoxyim inom ethylguanidine)

1996 ◽  
Vol 51 (10) ◽  
pp. 1469-1472 ◽  
Author(s):  
Joachim Pickardt ◽  
Britta Kühn
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Metal Complexes ◽  
Crystal Structures ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonds ◽  
Crystal Water ◽  
Space Group ◽  
Guanidine Derivatives

Crystals of |Zn(cnge)2(SCN)2]-2H2O (1) were obtained by evaporation of an aqueous solution of Z n(SO4)·7H2O , KSCN, and cyanoguanidine. Crystals of Zn(eoge)Br2 (2) were obtained by reaction of ZnBr2 and cyanoguanidine in ethanol/water. Both compounds are monoclinic, space group C2/c, 1: Z = 4, a = 1919.6(7), b = 467.3(2), c = 1838.5(6) pm, β = 112.99(3)°, 2: Z = 8, a = 1799.5(6), b = 878.7(2), c = 1367.2(5) pm, β = 101.52(3)°. In 1 each Zn is bonded to two cyanoguanidine molecules and via the N atoms to two NCS groups. Intermolecular hydrogen bonds lead to chains along the a-axis, and these chains are again connected via hydrogen bonds to the two crystal water molecules. In the course of the formation of 2, the cyanoguanidine reacted with the ethanol to form 1-ethoxyiminomethylguanidine. This ligand forms chelate rings with the Zn atoms, which are tetrahedrally coordinated by the two imino N atoms of the ligand and by two bromine atoms.

scholarly journals Crystal structures of tetramethylammonium (2,2′-bipyridine)tetracyanidoferrate(III) trihydrate and poly[[(2,2′-bipyridine-κ2N,N′)di-μ2-cyanido-dicyanido(μ-ethylenediamine)(ethylenediamine-κ2N,N′)cadmium(II)iron(II)] monohydrate]

2016 ◽  
Vol 72 (5) ◽  
pp. 741-746
Author(s):  
Songwuit Chanthee ◽  
Wikorn Punyain ◽  
Supawadee Namuangrak ◽  
Kittipong Chainok
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Layer Structure ◽  
Three Dimensional ◽  
Building Blocks ◽  
Chain Structure ◽  
Water Molecules ◽  
Two Dimensional ◽  
Lattice Water ◽  
Π Stacking

The crystal structures of the building block tetramethylammonium (2,2′-bipyridine-κ2N,N′)tetracyanidoferrate(III) trihydrate, [N(CH3)4][Fe(CN)4(C10H8N2)]·3H2O, (I), and a new two-dimensional cyanide-bridged bimetallic coordination polymer, poly[[(2,2′-bipyridine-κ2N,N′)di-μ2-cyanido-dicyanido(μ-ethylenediamine-κ2N:N′)(ethylenediamine-κ2N,N′)cadmium(II)iron(II)] monohydrate], [CdFe(CN)4(C10H8N2)(C2H8N2)2]·H2O, (II), are reported. In the crystal of (I), pairs of [Fe(2,2′-bipy)(CN)4]−units (2,2′-bipy is 2,2′-bipyridine) are linked together through π–π stacking between the pyridyl rings of the 2,2′-bipy ligands to form a graphite-like structure parallel to theabplane. The three independent water molecules are hydrogen-bonded alternately with each other, forming a ladder chain structure withR44(8) andR66(12) graph-set ring motifs, while the disordered [N(CH3)4]+cations lie above and below the water chains, and the packing is stabilized by weak C—H...O hydrogen bonds. The water chains are further linked with adjacent sheets into a three-dimensional networkviaO—H...O hydrogen bonds involving the lattice water molecules and the N atoms of terminal cyanide groups of the [Fe(2,2′-bipy)(CN)4]−building blocks, forming anR44(12) ring motif. Compound (II) features a two-dimensional {[Fe(2,2′-bipy)(CN)4Cd(en)2]}nlayer structure (en is ethylenediamine) extending parallel to (010) and constructed from {[Fe(2,2′-bipy)(CN)4Cd(en)]}nchains interlinked by bridging en ligands at the Cd atoms. Classical O—H...N and N—H...O hydrogen bonds involving the lattice water molecule and N atoms of terminal cyanide groups and the N—H groups of the en ligands are observed within the layers. The layers are further connectedviaπ–π stacking interactions between adjacent pyridine rings of the 2,2′-bipy ligands, completing a three-dimensional supramolecular structure.

Orthoamide und Iminiumsalze, LXX [1]. Zur Fixierung vonKohlendioxid mit organischen Basen (Teil 1) – Reaktionen von Diaminen mit Kohlendioxid / Orthoamides and Iminium Salts, LXX [1]. Capturing of Carbon Dioxide with Organic Bases (Part 1) – Reactions of Diamines with Carbon Dioxide

2011 ◽  
Vol 66 (2) ◽  
pp. 164-176
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner
Keyword(s):  
Carbon Dioxide ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
Crystal Water ◽  
Organic Bases ◽  
Dimensional Network ◽  
Carbamate Group

The alkylammonium alkylcarbamates 2, 4a,b, 14 were prepared from the amines 1, 3a,b, 13 and CO2. The crystal structures of 2 and 4b show carbamate anions, which are connected by N-H···O hydrogen bonds to form centrosymmetric dimers. The zwitterionic carbamates 7a,b, 8a,b and 11 are formed in the reactions of the diamines 6a,b and 10 with CO2. The crystal structures of 7a and 8b show strong intermolecular hydrogen bonds involving water molecules, the ammonium and the carbamate groups. In these compounds the molecules are interconnected in an extended two- or three-dimensional network. Due to the absence of crystal water molecules, the structure of 11 contains intermolecular hydrogen bonds involving the ammonium and the carbamate group in double-stranded chains. The diamines 17a,b react with CO2 to give the zwitterionic carbamates 18a,b.

scholarly journals Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (Ln III = Tb and Dy)

2018 ◽  
Vol 74 (4) ◽  
pp. 535-538 ◽  
Author(s):  
Chihiro Kachi-Terajima ◽  
Norihisa Kimura
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Lanthanide Complexes ◽  
Three Dimensional ◽  
Lanthanide Ions ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Lanthanide Ion ◽  
Π Interactions ◽  
Coordinated Water

The title lanthanide complexes, [Ln(DAPBH2)(CH3OH)(H2O)3]Cl3·2CH3OH [Ln III = Tb and Dy; DAPBH2 = 2,6-diacetylpyridine bis(benzoylhydrazone), C23H21N5O2], are isotypic. The central lanthanide ions are nine-coordinate, being ligated by three N and two O atoms from the pentadentate DAPBH2 ligand, and four O atoms from the coordinated methanol molecule and three coordinated water molecules. The coordination geometry of the lanthanide ion is a distorted capped square antiprism. In the crystals, the various components are linked by O—H...Cl, N—H...Cl and O—H...O hydrogen bonds, forming three-dimensional supramolecular frameworks. Within the frameworks, there are C—H...Cl and C—H...O hydrogen bonds and offset π–π interactions (intercentroid distance ca 3.81 Å).

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