Fluorreiche Oxofluorovanadate(V): Die Kristallstruktur von [enH2][VOF5]. / Fluorine-Rich Oxofluorovanadates(V): Crystal Structure of [enH2][VOF5]

1976 ◽  
Vol 31 (11) ◽  
pp. 1453-1455 ◽  
Author(s):  
Helmut Rieskamp ◽  
Rainer Mattes
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Fluorine Atom ◽  
Terminal Oxygen Atom ◽  
X Ray

The crystal structure of triclinic [enH2][VOF5], prepared in aqueous solution, has been determined from X-ray diffractometer data (R = 0.076 for 527 reflections). The structure contains monomeric [VOF5]2--ions. The bond distances are 1.54(1) Å (terminal oxygen), 1.80(1) (average for the cis-fluorine atoms) and 2.10(1) Å for the fluorine atom in transposition to the terminal oxygen atom. This fluorine atom is involved in strong hydrogen bonds originating from the [NH3CH2CH2NH3]2+ cation with cisoid conformation. Earlier results about the existence of K2VOF5 could not be confirmed

Oxofluoro-oxalato-vanadate des vierwertigen Vanadins: Schwingungsspektrum und Struktur von Na3[VOF(C2O4)2] • 6 H2O.

1976 ◽  
Vol 31 (5) ◽  
pp. 537-540 ◽  
Author(s):  
Helmut Rieskamp ◽  
Rainer Mattes
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Fluorine Atom ◽  
Direct Methods ◽  
Terminal Oxygen Atom ◽  
Triclinic Space Group ◽  
Trans Effect ◽  
Space Group ◽  
X Ray ◽  
In Cis

The Na and NH4 salts of the [VOF(C2O4)2]3--ion have been prepared. The crystal structure of the former has been determined from X-ray diffractometer data. The crystals are triclinic, space group P with Z = 2. The structure was solved by `direct methods' and refined to R 0.050 for 1749 reflections. In the anion, vanadium(IV) is octahedrally coordinated by a terminal oxygen atom, a fluorine atom in cis-position to the former, and two bidentate oxalate ligands. The terminal V—O-bond exhibits a strong ‘trans’ effect.

Kristallstruktur des Doppelkomplexsalzes trans-(py2CH2)[Pt(OH)2(ox)2]transs-(py2CH2)[Pt(OH)(ox)2(H2O)]2·4H2O / Crystal Structure of the Double Complex Salt trans-(py2CH2)[Pt(OH)2(ox)2](H2O)]2·4H2O

1998 ◽  
Vol 53 (5-6) ◽  
pp. 569-572 ◽  
Author(s):  
J.-G. Uttecht ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Peroxide ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Complex Salt ◽  
Double Complex ◽  
Double Complex Salt ◽  
X Ray ◽  
Complex Anions

Abstract By treatment of [Pt(ox)2]2- with hydrogen peroxide the octahedral trans-[Pt(OH)2(ox)2]2- is formed. From the saturated aqueous solution in the presence of dipyridiniomethane dications single crystals of the double complex salt trans-(py2CH2)[Pt(OH)2(ox)2] trans-(py2CH2)[Pt(OH)(ox)2(H2O)]2 · 4H2O were grown and an X-ray structure determination (tricli­nic, space group P1̄, a = 8.649(1), b = 11.189(3), c = 12.731 (2) Å, α = 79.075(12), β = 80.725(8), γ= 73.932(13)°, Z = 1) has been performed. The centrosymmetric trans-[Pt(OH)2(ox)2]2- is connected via hydrogen bonds between its hydroxide groups and the aqua ligands of two protonated complex anions trans-[Pt(OH)(ox)2(H2O)]- .

Das Hydrogendiarsenit-Anion HAs2O53- Darstellung und Struktur von K3HAs2O5 • 6 H2O / The Hydrogendiarsenite Anion HAs2O53- Preparation and Structure of K3HAs2O5-6 H2O

1985 ◽  
Vol 40 (12) ◽  
pp. 1622-1625 ◽  
Author(s):  
W. S. Sheldrick ◽  
H.-J. Häusler
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Crystal Lattice ◽  
Water Molecules ◽  
Coordination Geometry ◽  
X Ray ◽  
Lone Pairs

Abstract K3HAs2O5-6H2O 1 has been crystallised from aqueous solution and its crystal structure established by X-ray analysis. 1 contains isolated hydrogendiarsenite anions HAs2O53-, composed of two corner-sharing ψ -AsO3-tetrahedra. The anion displays the semi-eclipsed conformation in which the lone-pairs on the As atoms take up a syn-position with respect to an As-O bond on the opposite As atom. As a result the pyramidal coordination geometry of the As atoms is considerably distorted. The HAs2O53- anions in the crystal lattice are linked via O - H ··· O hydrogen bonds into infinite chains parallel to the b-axis, which are surrounded by water molecules of crystallisation

[Yb(H2O)8][Cd3Cl9(H2O)]·6H2O

2003 ◽  
Vol 59 (11) ◽  
pp. i109-i111 ◽  
Author(s):  
Samia Yahyaoui ◽  
Rached Ben Hassen ◽  
Bruno Donnadieu ◽  
Jean-Claude Daran ◽  
Abdelhamid Ben Salah
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Chemical Analysis ◽  
Ternary System ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Elemental Chemical Analysis

The title compound, namely octaaquaytterbium(III) aquanonachlorotricadmate(II) hexahydrate, [Yb(H2O)8][Cd3Cl9(H2O)]·6H2O, was prepared by evaporation at 278 K from an aqueous solution of the ternary system YbCl3–CdCl2–H2O and was characterized by elemental chemical analysis and by X-ray powder and single-crystal diffraction studies. The crystal structure can be viewed as being built from layers of double chains of CdCl6 and CdCl5(H2O) octahedra separated by antiprismatic [Yb(H2O)8]3+ cations. The stabilization of the structure is ensured by O—H...O and O—H...Cl hydrogen bonds. A comparison with the structures of SrCd2Cl6·8H2O and CeCd4Cl11·13H2O is presented.

Synthesis and Crystal Structure of the Tetra-nickel Substituted [Ni4(H2O)2(AsW9O34)2]10- Polyoxoanion

2004 ◽  
Vol 59 (9) ◽  
pp. 980-984 ◽  
Author(s):  
Daniel Drewes ◽  
Eva Melanie Limanski ◽  
Bernt Krebs
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Monoclinic Crystal System ◽  
Monoclinic Crystal ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Sodium Cations ◽  
Vis Spectroscopy ◽  
Common Plane

The new polyoxotungstate (NH4)6Na4[Ni4(H2O)2(AsW9O34)2] · 20 H2O (1) was synthesized in aqueous solution and characterized by IR and UV/Vis spectroscopy, energy dispersive X-ray fluorescence and single-crystal X-ray analysis. It contains the tetra-nickel substituted [Ni4(H2O)2(AsW9O34)2]10− polyoxoanion, in which the four Ni atoms are in a common plane and form a regular rhombus. 1 crystallizes in the monoclinic crystal system, space group P21/n with a = 11.849(2), b = 16.718(3), c = 21.243(4) Å , β = 100.48(3)◦, and Z = 2. The anions are linked via hydrogen bonds and sodium cations.

Structure of the 2-Pyrrolidinone Monohydrate

1999 ◽  
Vol 54 (12) ◽  
pp. 1598-1601 ◽  
Author(s):  
Päivi Pirilä ◽  
Ilpo Mutikainen ◽  
Jouni Pursiainen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Water Molecule ◽  
Carbonyl Oxygen ◽  
Carbonyl Oxygen Atom ◽  
Water Molecules ◽  
X Ray

The X-ray crystal structure of the 1:1 adduct shows a complicated network of water and 2-pyrrolidinone molecules where the carbonyl oxygen atom of 2-pyrrolidinone forms hydrogen bonds with protons of two separate water molecules and the NH proton of the 2- pyrrolidinone molecule interacts with the oxygen atom of a third water molecule.

Synthesis and Crystal Structure of the Hydrogen Bonded Complex of Tri-metatoluidylphosphazenyl Oxide with Bis-metatoluidine Hydrochloride

1977 ◽  
Vol 32 (9) ◽  
pp. 1001-1002 ◽  
Author(s):  
T. Stanley Cameron
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Title Complex ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Bond Lengths ◽  
Π Interactions ◽  
X Ray Crystallography ◽  
Phosphoryl Oxygen

The title complex was synthesised and its structure determined by x-ray crystallography. The structure contains two hydrogen bonds between the phosphoryl oxygen atom and the two meta-toluidinium ions. The P–N bond lengths are significantly different and the differences, attributed to varying p π-d π interactions along the bonds, confirm earlier observations on tri-para-toluidylphosphazenyl oxide.

scholarly journals Notizen: Synthese und Kristallstruktur von PPh3Me[HSO4]/ Synthesis and Crystal Structure of PPh3Me[HSO4]

1988 ◽  
Vol 43 (8) ◽  
pp. 1069-1071 ◽  
Author(s):  
Fritjof Schmock ◽  
Aida Müller ◽  
Ulrich Müller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Ir Spectrum ◽  
Crystal Data ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Silver Sulfate ◽  
By Products

AbstractPPh3Me[HSO4] was prepared by the reaction of (PPh3Me)I with silver sulfate in aqueous solution. OPPh2Me and benzene being the by-products. The title compound was characterized by its IR spectrum as well as by an X-ray structure determination (1730 observed independent reflexions, R = 0.043). Crystal data: a = 910.4(3). b = 1587.8(4), c = 1294.2(6) pm, β = 105.52(3)°. space group P21/c, Z = 4. The structure consists of PPh3Me⊕ cations and of HOSO3⊖ ions that are associated via strong hydrogen bonds to dimeric centrosymmetric units.

The protonation of the ethylenediphosphinetetraacetate anion and the crystal structure of the bis (hydrogen bromide) of ethylenediphosphinetetraacetic acid

1981 ◽  
Vol 46 (12) ◽  
pp. 3063-3073 ◽  
Author(s):  
Jana Podlahová ◽  
Bohumil Kratochvíl ◽  
Vratislav Langer ◽  
Josef Šilha ◽  
Jaroslav Podlaha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Free Acid ◽  
Hydrogen Bromide ◽  
Carboxyl Groups ◽  
Spectroscopic Methods ◽  
X Ray ◽  
Partial Formation

The equilibria and mechanism of addition of protons to the ethylenediphosphinetetraacetate anion (L4-) were studied in solution by the UV, IR, 1H and 31P NMR spectroscopic methods. A total of six protons can be bonded to the anion. They are added stepwise, first with partial formation of zwitterions containing P-H bonds, which then dissociate with formation of the free acid, H4L, where all four protons are bonded in carboxyl groups. The formation of zwitterions is strongly dependent on the concentration. In the final stage, the acid bonds two additional protons to form the bis-phosphonium cation, H6L2+. A number of isostructural salts containing this cation, H4L.2 HX (X = Cl, Br, I), have been prepared. The X-ray crystal structure determination of the bromide confirmed the expected arrangement. The bromide crystals are monoclinic, a = 578.2, b = 1 425.0, c = 1 046.7 pm, β = 103.07° with a space group of P21/c, Z = 2. The final R factor was 0.059 based on 1 109 observed reflections. The structure consists of H6L2+ cations containing protons bonded to phosphorus atoms (P-H distance 134 pm) and of bromide anions, located in gaps which are also sufficiently large for I- anions in the isostructural iodide. The interbonding of phosphonium cations proceeds through hydrogen bonds, C-OH...O=C, in which the O...O distance is 275.3 pm.

Crystal structure of oxybutynin hydrochloride hemihydrate, C22H32NO3Cl(H2O)0.5

2019 ◽  
Vol 34 (1) ◽  
pp. 50-58
Author(s):  
James A. Kaduk ◽  
Nicholas C. Boaz ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Density Functional ◽  
Hydroxyl Group ◽  
Layered Crystal ◽  
Powder Diffraction File ◽  
X Ray ◽  
Layered Crystal Structure ◽  
Oxybutynin Hydrochloride

The crystal structure of oxybutynin hydrochloride hemihydrate has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Oxybutynin hydrochloride hemihydrate crystallizes in space group I2/a (#15) with a = 14.57266(8), b = 8.18550(6), c = 37.16842(26) Å, β = 91.8708(4)°, V = 4421.25(7) Å3, and Z = 8. The compound exhibits X-ray-induced photoreduction of the triple bond. Prominent in the layered crystal structure is the N–H⋅⋅⋅Cl hydrogen bond between the cation and anion, as well as O–H⋅⋅⋅Cl hydrogen bonds from the water molecule and hydroxyl group of the oxybutynin cation. C–H⋅⋅⋅Cl hydrogen bonds also contribute to the crystal energy, and help determine the conformation of the cation. The powder pattern is included in the Powder Diffraction File™ as entry 00-068-1305.

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