Transition Metal Squarates I. Chain Structures M (C4O4) · 4 H2O

1986 ◽  
Vol 41 (1) ◽  
pp. 18-24 ◽  
Author(s):  
Armin Weiss ◽  
E. Riegler ◽  
I. Alt ◽  
H. Böhme ◽  
Ch. Robl
Keyword(s):  
Transition Metal ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Dimensional Chain ◽  
Chain Molecules ◽  
Space Group ◽  
One Dimensional ◽  
Oxygen Atoms

The transition metal squarates M(C4O4) · 4 H2O (M2+ = Mn2+, Fe2+, Co2+. Ni2+, and Zn2+) are isotypic. They crystallize monoclinically, space group Ce-Cf, and consist of one-dimensional chain molecules[xxx]with the chain axes alternatively in direction [110] and [110]. The transition metal is octahedrally coordinated by two oxygen atoms of two C4O42- -anions in rrarcs-position and 4 water molecules. Neighbouring chains are interlinked by hydrogen bonds. The distance between the planes of the parallel C4-rings of neighbouring chains is similar to the layer distance in graphite.

Transition Metal Squarates, II On the Structure of Cubic (MC4O4·2H2O)3CH3COOH·H2O(M=Zn2+,Ni2+)[1]

1986 ◽  
Vol 41 (11) ◽  
pp. 1329-1332 ◽  
Author(s):  
Armin Weiss ◽  
Eugen Riegler ◽  
Christian Robl
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Metal Ions ◽  
Water Molecules ◽  
Framework Structure ◽  
Space Group ◽  
3 Dimensional ◽  
Monodentate Ligands ◽  
Oxygen Atoms

Abstract The isotypic compounds (MC4O4·2 H2O)3·CH3COOH·H2O(M=Zn2+,Ni2+) crystallize in the cubic space group Pn3n. The 3-dimensional framework structure contains cavities, which may be filled with CH3COOH · H2O . The metal ions are coordinated almost octahedrally by two water molecules and four oxygen atoms of four C4O42- dianions. Thus the squarate dianions act as fourfold monodentate ligands. Strong hydrogen bonding between H2O and C4O42- has to be assumed.

The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl·4H2O

1995 ◽  
Vol 59 (394) ◽  
pp. 159-162 ◽  
Author(s):  
G. L. Starova ◽  
S. K. Filatov ◽  
G. L. Matusevich ◽  
V. S. Fundamensky
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Polyhedron ◽  
Specific Interaction ◽  
Distorted Octahedron ◽  
Water Molecules ◽  
Space Group ◽  
Oxygen Atoms

AbsractThe crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl·4H2O, has been determined, space group I4/m, a = 6.870(1), c = 13.342(2) Å, Z = 2, Dx = 2.35 g/cm3. The polyhedron cation chains are parallel to [001] and consist of couples of distorted Ca octahedra alternating with one distorted Al octahedron rotated through 24° with respect to the former. The chains are linked by SO4-tetrahedra so that all of the four tetrahedron oxygen atoms take part in coordination of Ca atoms to form a distorted octahedron with Cl and F atoms. The Al coordination polyhedron consists of two F atoms and four oxygen atoms belonging to water molecules. There is a specific interaction via hydrogen bonds between oxygen atoms of SO4-tetrahedra and water molecules.

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.

Dimere und Ketten in Praseodym(III)acetat-sesquihydrat, Pr(CH3COO)3·1,5 H2O / Dimers and Chains in Praseodymium(III)acetate-sesquihydrate, Pr(CH3COO)3 · 1.5 H2O

1992 ◽  
Vol 47 (11) ◽  
pp. 1602-1608 ◽  
Author(s):  
Adalbert Lossin ◽  
Gerd Meyer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecules ◽  
Crystal Water ◽  
One Dimensional ◽  
Triclinic System ◽  
Centrosymmetric Dimers ◽  
Oxygen Atoms

Pr(CH3COO)3· 1.5 H2O crystallizes with the triclinic system, P̄1̄ (no. 2), Z = 4, a = 844.2(4), b = 1009.8(5), c = 1340.1(7) pm, α = 87.10(5), β = 76.25(6), y = 75.65(2)°, Vm = 161.9(1) cm3/mol, R = 0.049, Rw = 0.035. The crystal structure contains centrosymmetric dimers {[Pr(CH3COO)4(H2O)]-}2 and one-dimensional chains ∞1[Pr(CH3COO)2(H2O)]+ along the [100] direction. Both units are built up by bridging acetate groups. The chains are linked by the dimers to layers parallel (101) sharing oxygen atoms. Crystal water molecules between these planes form hydrogen bonds to neighbouring layers.

1-Carboxymethyl-3-methyl-1H-imidazol-3-ium chloride 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions

2013 ◽  
Vol 69 (10) ◽  
pp. 1173-1176 ◽  
Author(s):  
Heng Zhang ◽  
Liangliang Chang ◽  
Na Wang ◽  
Xiaopeng Xuan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Chloride Ion ◽  
Water Molecules ◽  
Dimensional Chain ◽  
Acetate Monohydrate ◽  
One Dimensional ◽  
Compound C ◽  
Methylene Groups

The title compound, C6H9N2O2+·Cl−·C6H8N2O2·H2O, contains one 2-(3-methyl-1H-imidazol-3-ium-1-yl)acetate inner salt molecule, one 1-carboxymethyl-3-methyl-1H-imidazol-3-ium cation, one chloride ion and one water molecule. In the extended structure, chloride anions and water molecules are linkedviaO—H...Cl hydrogen bonds, forming an infinite one-dimensional chain. The chloride anions are also linked by two weak C—H...Cl interactions to neighbouring methylene groups and imidazole rings. Two imidazolium moieties form a homoconjugated cation through a strong and asymmetric O—H...O hydrogen bond of 2.472 (2) Å. The IR spectrum shows a continuous D-type absorption in the region below 1300 cm−1and is different to that of 1-carboxymethyl-3-methylimidazolium chloride [Xuan, Wang & Xue (2012).Spectrochim. Acta Part A,96, 436–443].

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.

scholarly journals Ethene-trans-1,2-bis(4-pyridinium) Dihydrogenphosphite and Dihydrogenphosphate Compounds Exhibiting Cooperative and Directed Hydrogen Bonds between Cations and Anions: H2bpe(H2PO3)2 and H2bpe(H2PO4)2 · H2O

2006 ◽  
Vol 61 (9) ◽  
pp. 1067-1071 ◽  
Author(s):  
Veysel T. Yilmaz ◽  
Selcuk Demir ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Dihydrogen Phosphate ◽  
Dimensional Chain ◽  
One Dimensional ◽  
Phosphate Ions

Abstract H2bpe(H2PO3)2 (1) and H2bpe(H2PO4)2 ・H2O (2) (H2bpe = ethene-trans-1,2-bis(4-pyridinium), H2PO3 = dihydrogenphosphite, and H2PO4 = dihydrogenphosphate) have been prepared and structurally characterized. In compound 1, the dihydrogenphosphite anions form dimers, with a P···P distance of 4.2073(7) Å , by two O-H···H hydrogen bonds, and the dimeric dihydrogenphosphite units interact with the H2bpe cations by way of N-H···O and O-H···O hydrogen bonds, resulting in a one-dimensional chain. The chains are held together by C-H···O interactions. In compound 2, the phosphate ions are connected by O-H···O hydrogen bonds into an unusual 2D square gridtype framework with P···P separations ranging from 4.7533(7) to 4.9506(8) Å . The H2bpe cations crosslink the dihydrogen phosphate layers by N-H···O hydrogen bonds, forming a three-dimensional supramolecular network with channels. The water molecules in compound 2 occupy these channels and make O-H···O bonds to adjacent phosphate O atoms and also O-H···O bonds to the next water O atom in the channel.

Crystal structure, shape analysis and bioactivity of new LiI, NaI and MgII complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid

2019 ◽  
Vol 75 (3) ◽  
pp. 294-303 ◽  
Author(s):  
Syed Raza Shah ◽  
Zarbad Shah ◽  
Najeeb Ullah ◽  
Javid Hussain ◽  
Rashid Al-Harrasi ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Chain Structure ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Dimensional Chain ◽  
Asymmetric Unit ◽  
Orthorhombic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
One Dimensional

Reactions of 1,10-phenanthroline (phen) and 2-(3,4-dichlorophenyl)acetic acid (dcaH) with Mn (CO3) (M = LiI, NaI and MgII; n = 1 and 2) in MeOH yield the mononuclear lithium complex aqua[2-(3,4-dichlorophenyl)acetato-κO](1,10-phenanthroline-κ2 N,N′)lithium(I), [Li(C8H5Cl2O2)(C12H8N2)(H2O)] or [Li(dca)(phen)(H2O)] (1), the dinuclear sodium complex di-μ-aqua-bis{[2-(3,4-dichlorophenyl)acetato-κO](1,10-phenanthroline-κ2 N,N′)sodium(I)}, [Na2(C8H5Cl2O2)2(C12H8N2)2(H2O)2] or [Na2(dca)2(phen)2(H2O)2] (2), and the one-dimensional chain magnesium complex catena-poly[[[diaqua(1,10-phenanthroline-κ2 N,N′)magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ2 O:O′] 2-(3,4-dichlorophenyl)acetate monohydrate], {[Mg(C8H5Cl2O2)(C12H8N2)(H2O)2](C8H5Cl2O2)·H2O} n or {[Mg(dca)(phen)(H2O)2](dca)·H2O} n (3). In these complexes, phen binds via an N,N′-chelate pocket, while the deprotonated dca− ligands coordinate either in a monodentate (in 1 and 2) or bidentate (in 3) fashion. The remaining coordination sites around the metal ions are occupied by water molecules in all three complexes. Complex 1 crystallizes in the triclinic space group P\overline{1} with one molecule in the asymmetric unit. The Li+ ion adopts a four-coordinated distorted seesaw geometry comprising an [N2O2] donor set. Complex 2 crystallizes in the triclinic space group P\overline{1} with half a molecule in the asymmetric unit, in which the Na+ ion adopts a five-coordinated distorted spherical square-pyramidal geometry, with an [N2O3] donor set. Complex 3 crystallizes in the orthorhombic space group P212121, with one Mg2+ ion, one phen ligand, two dca− ligands and three water molecules in the asymmetric unit. Both dcaH ligands are deprotonated, however, one dca− anion is not coordinated, whereas the second dca− anion coordinates in a bidentate fashion bridging two Mg2+ ions, resulting in a one-dimensional chain structure for 3. The Mg2+ ion adopts a distorted octahedral geometry, with an [N2O4] donor set. Complexes 1–3 were evaluated against urease and α-glucosidase enzymes for their inhibition potential and were found to be inactive.

Piperazinediium Diselenatohexaaquacobaltate(II) Dihydrate (C4H12N2)[Co(SeO4)2(H2O)4]·2H2O

2012 ◽  
Vol 194 ◽  
pp. 171-174 ◽  
Author(s):  
Nouha Loulou Nkhili ◽  
Walid Rekik ◽  
Houcine Naili ◽  
Tahar Mhiri ◽  
Thierry Bataille
Keyword(s):  
Crystal Structure ◽  
Transition Metal ◽  
Hydrogen Bonds ◽  
Hybrid Material ◽  
Room Temperature ◽  
Water Molecules ◽  
Slow Evaporation ◽  
Monoclinic System ◽  
Space Group ◽  
Evaporation Method

The new hybrid material, (C4H12N2)[Co(H2O)4(SeO4)2]·2H2O, has been synthesized by the slow evaporation method at room temperature and crystallographically characterized. It crystallizes in the monoclinic system, space group P21 /n. The crystal structure of this compound consists of transition metal, Co(II), octahedrally coordinated by four water molecules and two selenate groups forming the [Co(H2O)4(SeO4)2]2-anions, water molecules and piperazinediium cations (C4H12N2)2+linked together by two types of hydrogen bonds, OW–H…O and N–H…O.

Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: ZnC6(NO2)2O4·2 H2O/Complexes with Substituted 2,5-Dihydroxy-p-benzochinones: ZnC6(NO2)2O4·2 H2O

1986 ◽  
Vol 41 (11) ◽  
pp. 1337-1340 ◽  
Author(s):  
Christian Robl ◽  
Armin Weiss
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecules ◽  
Ring Plane ◽  
Space Group ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
In Cis ◽  
Oxygen Atoms

Abstract ZnC6(NO2)2O4 · 2 H2O was grown in aqueous silicagel. It crystallizes monoclinically (space group I2/c). Zn2+ has CN 6 . It is surrounded in a distorted octahedral fashion by 2 water molecules in cis -position and 4 oxygen atoms of the bis-chelating [C6(NO2)2O4]2- ions. Thereby infinite corrugated chains are formed consisting of Zn2+ and the nitranilate dianions. These chains are interlinked by hydrogen bonds between H2O and the NO2 groups. The NO2 groups are twisted against the ring plane. The bond lengths in the dianion are typical of completely delocalized π-electrons.

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