scholarly journals Syntheses and Crystal Structures of Two Cadmium Methanetetrabenzoates Featured by Open Framework and Infinite Layers

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Water Molecules ◽  
Space Group ◽  
Open Framework

Abstract. Colorless single crystals of Cd2[μ8-TB]·3H2O·DMF (1) were prepared in DMF/H2O solution [1: space group C2/c (no. 15) with a = 1821.30(6), b = 2175.08(6), c = 1269.87(4) pm, beta = 129.684(1)°]. The connection between the methane-p-benzoate tetraanions (MTB4–) and the Cd2+ cations leads to a three-dimensional framework with channels extending along [-110] and [110] with openings of 670 pm x 360 pm. The channel-like voids accommodate water molecules and N,N-dimethylformamide (DMF) molecules not bound to Cd2+. Colorless single crystals of[Cd4(2,2'-bipy)4(μ7-MTB)2]·7DMF (2) were prepared in DMF in the presence of 2,2'-bipyridine [2: space group P-1 (no. 2) with a = 1224.84(4), b = 1418.85(5), c = 2033.49(4) pm, alpha = 85.831(2)°, beta = 88.351(2)°, gamma = 68.261(1)°]. The coordination of MTB4– to Cd2+ resultsin infinite layers parallel to (001). The layers, not connected by any hydrogen bonds, contain small openings of about 320 pm x 340 pm.

scholarly journals Syntheses and crystal structures of a new family of hybrid perovskites: C5H14N2·ABr3·0.5H2O (A = K, Rb, Cs)

2019 ◽  
Vol 75 (8) ◽  
pp. 1243-1248 ◽  
Author(s):  
Sarah Ferrandin ◽  
Alexandra M. Z. Slawin ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Perovskite Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Space Group ◽  
New Family

The syntheses and crystal structures of three hybrid perovskites, viz. poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-potassium] hemihydrate], {(C5H14N2)[KBr3]·0.5H2O} n , (I), poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-rubidium] hemihydrate], {(C5H14N2)[RbBr3]·0.5H2O} n , (II), and poly[1-methylpiperizine-1,4-diium [tri-μ-bromido-caesium] hemihydrate], {(C5H14N2)[CsBr3]·0.5H2O} n , (III), are described. These isostructural (space group Amm2) phases contain a three-dimensional, corner-sharing network of distorted ABr6 octahedra (A = K, Rb, Cs) with the same topology as the classical perovskite structure. The doubly protonated C5H14N2 2+ cations occupy interstices bounded by eight octahedra and the water molecules lie in square sites bounded by four octahedra. N—H...Br, N—H...(Br,Br), N—H...O and O—H...Br hydrogen bonds consolidate the structures.

Na6[TeMo6O24]·22 H2O – A Layered Heteropoly Compound with the Chain-Like Polycation {Na3(Η2O)1111}n3n+

1993 ◽  
Vol 48 (4) ◽  
pp. 404-408 ◽  
Author(s):  
Christian Robl ◽  
Mona Frost
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Single Crystals ◽  
Solution Space ◽  
Heteropoly Compound ◽  
Water Molecules ◽  
Space Group ◽  
The Third ◽  
Bonding Mode

Colourless triclinic single crystals of Na6[TeMo6O24] · 22 H2O were grown from aqueous solution (space group P 1, a = 1030.89(9), b = 1056.7(1), c = 1106.32(9) pm, α = 90.120(7), β = 115.220(6), γ = 105.195(7), Ζ = 1, 295 Κ, 336 parameters, 3181 reflections, Rg = 0.0186). There are three crystallographically independent Na+ cations. Two of them are coordinated octahedrally by water molecules only. The third Na+ cation is bound to five H2O and one oxygen atom (O(4)) belonging to the Anderson-Evans type anion [TeMo6O24]6-. The sodium-centered coordination octahedra are linked by common edges exclusively formed by water molecules to yield chain-like polycations {Na3(H2O)11}n,3n+ which are bound by the Na(1)-O(4) contact to the anions situated on crystallographic centers of inversion forming a layer-like arrangement. Further connections between the polycations and the [TeMo6O24]6- anions are established by hydrogen bonds involving all the oxygen atoms of the anion except O(4) as almost equivalent proton acceptors regardless of their bonding mode to Te or Mo.

Addukte von Alkalimetallhexacyanoferraten mit Hexamethylentetramin: Die Kristallstrukturen von Na3[Fe(CN)6] · 2C6H12N4 · 5H20 und K3[Fe(CN)6] · 2C6H12N4 · 4H2O

1988 ◽  
Vol 43 (9) ◽  
pp. 1161-1166 ◽  
Author(s):  
Hans-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Hydrogen Bonds ◽  
Aqueous Solutions ◽  
Single Crystals ◽  
Three Dimensions ◽  
Water Molecules ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
Sodium And Potassium ◽  
Coordination Water

Abstract By diffusion of methanolic solutions of hexamethylenetetramine into aqueous solutions of hexacyanoferrates(III) of sodium and potassium, resp., single crystals of the adducts were ob­tained. Na3[Fe(CN)6] · 2C6H12N4-5H2O, orthorhombic, space group Pca21. Z = 4, a = 14.122(4). b = 14.380(4), c = 14.381(4) Å, 3153 reflections, R = 0.044. K3[Fe(CN)6]•2C6H12N4-4H2O, triclinic, space group P1̄, Z = 4, a = 14.125(4), b = 17.808(4), c =14.116(4) Å, α = 114.14(5), β = 94.91(4), γ = 108.36(5)°. 5550 reflections, R = 0.042. Both structures may be regarded as Elpasolite-Iike arrangements of [Fe(CN)6]3- ions, C6H12N4 molecules and [M2(OH2)x]3+ units (M = Na, K; x = 5, 4), linked together unsymmetrically by M-N contacts of metal ions and nitrogen atoms with mean distances of Na-NHMT = 264 pm. Na-NCYan = 243 pm, K-NHMT = 293 pm and K-Ncyan = 290 pm. Stabilization of the crystal structures is obtained by N---H-O hydrogen bonds of coordination water molecules in three dimensions.

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 Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS)-2-Phosphonobutyric Acid

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystals ◽  
Magnetic Measurements ◽  
Antiferromagnetic Coupling ◽  
Water Molecules ◽  
Space Group ◽  
Thermoanalytical Investigations ◽  
Copper Cations

Blue single crystals of Cu[μ3-O3P(CH2)2COOH].2H2O (1) and Cu[(RS)-μ3-O3PCH(C2H5)COOH].3H2O (2) have been prepared in aqueous Cu2+-solutions (pH = 2.5–3.5) containing 3-phosphonopropionic acid (1) and (RS)-2-phosphonobutyric acid (2), respectively. 1: Space group Pbca (no. 61) with a = 812.5(2), b = 919.00(9), c = 2102.3(2) pm. Cu2+ is five-fold coordinated by three oxygen atomsstemming from [O3P(CH2)2COOH]2– anions and two water molecules. The Cu-O bond lengths range from194.0(3) to 231.8(4) pm. The connection between the [O3P(CH2)2COOH]2– anions and the Cu2+ cations yields apolymeric structure with layers parallel to (001). The layers are linked by hydrogen bonds. 2: Space group Pbca(no. 61) with a = 1007.17(14), b = 961.2(3), c = 2180.9(4) pm. The copper cations are surrounded by five oxygen atoms in a square pyramidal fashion with Cu-O bonds between 193.6(4) and 236.9(4) pm. The coordination between [O3PCH(C2H5)COOH]2- and Cu2+ results in infinite puckered layers parallel to (001). The layers are not connected by any hydrogen bonds. Each layer contains both R and S isomers of the [O3PCH(C2H5)COOH]2-dianion. Water molecules not bound to Cu2+ are intercalated between the layers.UV/Vis spectra suggest three d-d transition bands at 743, 892, 1016 nm for 1 and four bands at 741, 838, 957and 1151 nm for 2, respectively. Magnetic measurements suggest a weak antiferromagnetic coupling betweenCu2+ due to a super-superexchange interaction. Thermoanalytical investigations in air show that the compounds are stable up to 95 °C (1) and 65 °C (2), respectively.

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.

Unendliche Y2(H2O)10[C6(COO)6]-Ketten in Y2[C6(COO)6] · 14H2O / Infinite Chains of Y2(H2O)10[C6(COO)6] in Y2[C6(COO)6] · 14 H2O

1992 ◽  
Vol 47 (11) ◽  
pp. 1561-1564 ◽  
Author(s):  
Christian Robl ◽  
Stephanie Hentschel
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Silica Gel ◽  
Water Molecules ◽  
Space Group ◽  
Aqueous Silica ◽  
Oxygen Atoms

Colourless monoclinic single crystals of Y2[C6(COO)6]· 14H2O were grown in aqueous silica gel (space group P21/n, a = 847.5(1), b = 923.4(2), c = 1632.0(3) pm, β = 100.33(1)°, Ζ = 2, 223 parameters, 1784 reflections, Rg = 0.0357). Y3+ is coordinated by 5 water molecules and 3 oxygen atoms of the mellitate anion in a dodecahedral fashion. Y3+ and [C6(COO)6]6- ions are linked by coordinative bonds, yielding infinite chains of composition Y2(H2O)10[C6(COO)6] extending parallel to [100]. Hydrogen bonds connect adjacent chains.

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.

Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts

2013 ◽  
Vol 69 (4) ◽  
pp. 444-447
Author(s):  
E. Mesto ◽  
E. Quaranta
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Space Group ◽  
Π Stacking ◽  
Chloride Salts ◽  
Crystal Packings ◽  
Chloride Monohydrate ◽  
Hydrogen Bonded

The crystal structures of 8-phenoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride, C16H21N2O2+·Cl−, (I), and 8-methoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride monohydrate, C11H19N2O2+·Cl−·H2O, (II), recently reported by Carafa, Mesto & Quaranta [Eur. J. Org. Chem.(2011), pp. 2458–2465], are analysed and discussed with a focus on crystal interaction assembly. Both compounds crystallize in the space groupP21/c. The crystal packings are characterized by dimers linked through π–π stacking interactions and intermolecular nonclassical hydrogen bonds, respectively. Additional intermolecular C—H...Cl interactions [in (I) and (II)] and classical O—H...Cl hydrogen bonds [in (II)] are also evident and contribute to generating three-dimensional hydrogen-bonded networks.

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