scholarly journals Komplexe mit aromatischen Carbonsäuren, IV. Ca2[C6H2(COO)4]·6H2O - Eine neue Schichtstruktur/ Complexes with Aromatic Carboxylic Acids, IV. Ca2[C6H2(COO)4]·6H2O - A Novel Layer Structure

1988 ◽  
Vol 43 (8) ◽  
pp. 993-997 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Silica Gel ◽  
Layer Structure ◽  
The Other ◽  
Water Molecules ◽  
Ring Plane ◽  
Weakly Bound ◽  
Carboxylate Groups ◽  
Oxygen Atoms

AbstractSingle crystals of Ca2[C6H2(COO)4]·6H2O were grown in aqueous silica gel. Ca2+ has CN 6+2. The coordination polyhedron is formed by three water molecules and five oxygen atoms of carboxylate groups. Six oxygen atoms are closely bound (235,9-243,9 pm), the two remaining coordination partners are considerably more remote from Ca2+ (268,2 and 273,8 pm). COO- groups chelate Ca2+ in an asymmetric manner, but the C -O bond lengths do not differ markedly (125,2-126,3 pm). The connection of Ca2+ with [C6H2(COO)4]4- leads to rigid layers. Adjacent layers are interlinked by hydrogen bonds. Those oxygen atoms which are weakly bound to Ca2+ are favoured as proton acceptors in hydrogen bonds. The COO groups are tilted differently against the C6-ring plane. One is approximately coplanar, but the other is oriented almost perpendicularly.

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.

scholarly journals The Layered Structure of Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Nitrogen Atom ◽  
Single Crystals ◽  
Silica Gel ◽  
Layered Structure ◽  
Water Molecules ◽  
Two Dimensional ◽  
Space Group ◽  
Distorted Octahedral ◽  
Oxygen Atoms

Triclinic single crystals of Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O have been grown in anaqueous silica gel. Space group P-1 (Nr. 2), a = 723.94(7) pm, b = 813.38(14) pm, c = 931.0(2) pm, α = 74.24(2)°, β = 79.24(2)°, γ = 65.451(10)°, V = 0.47819(14) nm3, Z = 1. Cu2+ is coordinated in a distorted, octahedral manner by two water molecules, three oxygen atoms ofthe pyromellitate anions and one nitrogen atom of pyrazine (Cu—O 194.1(2)–229.3(3) pm;Cu–N 202.0(2) pm). The connection of Cu2+ and [C6H2(COO)4)]4− yields infinite strands,which are linked by pyrazine molecules to form a two-dimensional coordination polymer.Thermogravimetric analysis in air showed that the dehydrated compound was stable between175 and 248 °C. Further heating yielded CuO.

Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: EA[C6(NO2)2O4] · H2O (EA = Ca, Sr)/ Complexes with Substituted 2,5-D ihydroxy-p-benzoquinones: EA [C6(NO2)2O4] · 4H2O(EA = Ca, Sr)

1987 ◽  
Vol 42 (8) ◽  
pp. 972-976 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Single Crystals ◽  
Coordination Sphere ◽  
Trigonal Prism ◽  
Water Molecules ◽  
Additional Water ◽  
Oxygen Atoms

AbstractSingle crystals of EA[Q(NO2)2O4] · 4H2O (EA = Ca. Sr) were grown in aqueous silicagel. Ca2+ has CN 8. It is surrounded by 4 oxygen atoms of two bis-chelating [C6(NO2)2O4]2- ions and 4 water molecules, which form a distorted, bi-capped trigonal prism. Sr2+ is coordinated similarly, with an additional water molecule joining the coordination sphere to yield CN 8+1. Corrugated chains extending along [010] and consisting of EA2+ and nitranilate ions are the main feature of the crystal structure. Adjacent chains are interlinked by hydrogen bonds.

Über die Dialkaliacetylendicarboxylate Na2(C2(COO)2)(H2O)4 und K2(C2(COO)2)(H2O) / On Dialkali Acetylenedicarboxylates Na2(C2(COO)2)(H2O)4 and K2(C2(COO)2)(H2O)

2004 ◽  
Vol 59 (8) ◽  
pp. 903-909 ◽  
Author(s):  
Heinrich Billetter ◽  
Ingo Pantenburg ◽  
Uwe Ruschewitz
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Sodium Atom ◽  
Water Molecules ◽  
Potassium Ions ◽  
Slow Evaporation ◽  
Carboxylate Ligands ◽  
Carboxylate Anions ◽  
Acetylenedicarboxylic Acid ◽  
Oxygen Atoms

AbstractFrom aqueous solutions containing acetylenedicarboxylic acid and Na2CO3 or KOH single crystals of Na2(C2(COO)2)(H2O)4 (P21/n, Z = 2) and K2(C2(COO)2)(H2O) (P1̅, Z = 2) were obtained by slow evaporation of the solvent. In Na2(C2(COO)2)(H2O)4 the sodium atom is co-ordinated almost octahedrally by three water molecules and three oxygen atoms of the carboxylate ligands. These octahedra are connected to layers, which are held together by hydrogen bonds. In K2(C2(COO)2)(H2O) two crystallographic distinct potassium ions exist both seven co-ordinate by oxygen atoms stemming from water molecules and carboxylate ligands. These KO7 polyhedra are linked to a threedimensional structure by the bifunctional carboxylate anions and the water molecules.

scholarly journals Caesium propanoate monohydrate

2020 ◽  
Vol 76 (8) ◽  
pp. 1307-1310 ◽  
Author(s):  
Erika Samolová ◽  
Jan Fábry
Keyword(s):  
Hydrogen Bonds ◽  
General Position ◽  
Repeat Unit ◽  
Unit Cell ◽  
The Other ◽  
Water Molecules ◽  
Special Position ◽  
Space Group ◽  
Trigonal Prismatic ◽  
Oxygen Atoms

Caesium propanoate monohydrate, Cs+·C3H5O2 −·H2O, is composed of two symmetry-independent Cs+ cations, which are situated on the special position 4e of space group P\overline421 m, one symmetry-independent propanoate molecule in a general position and a pair of water molecules also situated on special position 4e. Two pairs of these symmetry-independent cations, four propanoate molecules and two pairs of symmetry-independent water molecules form a repeat unit. These units form columns that are directed along the c axis and possess symmetry mm2. There are four such columns passing through each unit cell. Each column is interconnected to its neighbours by four bifurcated three-centred Ow—H...Op (w = water, p = propanoate) hydrogen bonds of moderate strength. There are also four intramolecular Ow—H...Op hydrogen bonds of moderate strength within each column. One Cs+ cation is coordinated by six oxygen atoms (two water and four carboxylate) in a trigonal–prismatic geometry, while the other Cs+ cation is coordinated by four water and four carboxylate O atoms in a tetragonal–prismatic arrangement.

Bis(4-ethylanilinium) 4,5-dichlorophthalate

2007 ◽  
Vol 63 (11) ◽  
pp. o4376-o4377 ◽  
Author(s):  
Orhan Büyükgüngör ◽  
Mustafa Odabaşoğlu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Dihedral Angles ◽  
Ring Plane ◽  
Carboxylate Groups ◽  
Dimensional Network

The crystal structure of the title compound, 2C8H12N+·C8H3Cl2O4 2−, is stabilized by nine N—H...O and four C—H...O hydrogen bonds, and also by C—H...π interactions. Intramolecular C—H...O hydrogen bonds form C(6) chains along the c axis. This chain and the other hydrogen bonds generate edge-fused [R 1 2(6)R 1 2(4)R 4 3(10)R 1 2(4)R 3 2(9)] motifs in a three-dimensional network. The dihedral angles between the carboxylate anion and the cation aromatic ring planes are 75.90 (2) and 68.15 (2)°, and the dihedral angles between the carboxylate groups and the anion aromatic ring plane are 13.72 (3) and 84.64 (3)°.

scholarly journals catena-Poly[[diaquanickel(II)]-bis(μ-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetato)]

2012 ◽  
Vol 68 (6) ◽  
pp. m763-m764
Author(s):  
Ru-Qin Gao ◽  
Chao-Hui Xia ◽  
Guo-Ting Li
Keyword(s):  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Title Compound ◽  
Layer Structure ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Inversion Center ◽  
Metal Atoms ◽  
Carboxylate Groups

In the title compound, [Ni(C9H6N3O3S)2(H2O)2] n , the NiII atom, located on an inversion center, is ligated in an octahedral geometry by two carboxylate O atoms from two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate (L) ligands and two O atoms from water molecules in the equatorial plane, and two pyridine N atoms from other two L ligands at the apical sites. Two L ligands bridge pairs of metal atoms in an antiparallel manner, forming centrosymmetric dinuclear quasi-rectangular units which are linked into infinite double-stranded chains parallel to [100]. O—H...O hydrogen bonds between the coordinating water molecules and the carboxylate groups of the L ligand as well as interchain S...N interactions [2.726 (2)–3.363 (2) Å] lead to the formation of a layer structure parallel to (001).

scholarly journals Poly[bis(μ-2-amino-4-nitrobenzoato)di-μ-aqua-dirubidium]

2014 ◽  
Vol 70 (5) ◽  
pp. m192-m193 ◽  
Author(s):  
Graham Smith
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Polymeric Structure ◽  
Π Interactions ◽  
Carboxylate Groups ◽  
Dinuclear Unit

In the structure of the title salt, [Rb2(C7H5N2O4)2(H2O)2]n, the asymmetric unit comprises two independent and different seven-coordinate Rb+cations, one forming an RbO7polyhedron, the other a RbO6N polyhedron, each of which is considerably distorted. The RbO7polyhedron comprises bridging O-atom donors from two water molecules, three carboxylate groups, and two nitro groups. The RbO6N polyhedron comprises the two bridging water molecules, one monodentate amine N-atom donor, one carboxyl O-atom donor and three O-atom donors from nitro groups (one from the chelate bridge). The extension of the dinuclear unit gives a three-dimensional polymeric structure which is stabilized by both intra- and intermolecular amine N—H...O and water O—H...O hydrogen bonds to carboxyl and water O-atom acceptors, as well as a number of inter-ring π–π interactions [minimum centroid–centroid separation = 3.364 (2) Å]. The title salt is isostructural with the analogous caesium salt.

{Co(H2O)2[C6(COO)6]}n4n— — Ein neuartiges kettenförmiges Polyanion in Co3[C6(COO)6]·18H2O (Tricobalt(II)mellitat Octadecahydrat) / {Co(H2O)2[C6(COO)6]}n4n— – A Novel Chain-Like Polyanion in Co3[C6(COO)6]·18 H2O (Tricobalt(II) Mellitate Octadeca Hydrate)

1991 ◽  
Vol 46 (9) ◽  
pp. 1188-1192 ◽  
Author(s):  
Christian Robl ◽  
Stephanie Hentschel
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Ligand Exchange ◽  
Negative Charge ◽  
Water Molecules ◽  
Carboxylate Oxygen ◽  
Deep Blue ◽  
Carboxylate Groups ◽  
Excess Negative Charge ◽  
Oxygen Atoms

Red orthorhombic single crystals of Co3[C6(COO)6]·18 H2O were grown in aqueous silica gel (space group Pbca, a = 852.7(2), b = 2015.6(3), c = 1712.3(3) pm, 269 parameters, 2675 reflections, Rg = 0.0217). The Co2+ ions are coordinated octahedrally by water molecules and oxygen atoms of carboxylate groups. Co(1) is bound to five water molecules and one carboxylate oxygen atom, Co(2) is situated on a crystallographic center of symmetry and coordinated by four carboxylate oxygen atoms and two water molecules. Folded chains extending parallel to [100] made up by Co(2) and mellitate hexaanions with composition {Co(H2O)2[C6(COO)6]}n4n— are the main feature of the crystal structure. The excess negative charge is compensated for by Co(1) cations bound to these chains via carboxylate groups related by a center of symmetry. Hydrogen bonds connect neighbouring chains primarily with carboxylate oxygen atoms which are not bound to Co2+ as the proton acceptors. Endothermic loss of water was observed to commence at 120 °C, followed (in air) by a further exothermic two step decomposition at 370 and 450 °C to yield Co3O4 as a crystalline residue. With (CH3)2SO a topotactical ligand exchange occurs without destruction of the single crystals causing the colour of the compound to change to deep-blue.

Structure of Bis(isobutylammonium) Selenite and its Sesquihydrate

2006 ◽  
Vol 61 (11) ◽  
pp. 1401-1405
Author(s):  
Maren Wiechoczek ◽  
Peter G. Jones
Keyword(s):  
Hydrogen Bonds ◽  
Layer Structure ◽  
Selenium Dioxide ◽  
Water Molecules ◽  
Hydrogen Atoms ◽  
X Ray ◽  
Layer Structures ◽  
Graph Set ◽  
Ray Methods ◽  
Oxygen Atoms

Isobutylammonium selenite and its sesquihydrate were obtained in low yields by reaction of selenium dioxide with the neat amine in the presence of small amounts of water. Both structures were determined by X-ray methods and proved to contain two independent formula units. In both cases, layer structures [(CH3)2CHCH2NH3]2[SeO3] are formed in which all NH hydrogen atoms act as single hydrogen bond donors, and all selenite oxygen atoms accept two hydrogen bonds. The layers contain six independent rings; the anhydrous substance has all rings of graph set R34 (10), whereas the sesquihydrate has two each of R44 (12), R24 (8) and R34 (10). The three independent water molecules of the sesquihydrate attach themselves to the layer structure by further classical hydrogen bonds to the selenite oxygen atoms.

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