scholarly journals Etude structurale du monofluorophosphate de potassium K2PO3F

1979 ◽  
Vol 57 (8) ◽  
pp. 886-889 ◽  
Author(s):  
Jean-Luc Payen ◽  
Jean Durand ◽  
Louis Cot ◽  
Jean-Louis Galigne
Keyword(s):  
Crystal Structure ◽  
Intensity Data ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Important Interaction ◽  
Automatic Diffractometer

K2PO3F is orthorhombic, space group Pnma, with a = 7.554(4), b = 5.954(5), c = 10.171(6) Å, and Z = 4. Intensity data have been measured on an automatic diffractometer with CuKα radiation. The crystal structure was determined by analogy with that of K2SO4 and shows an important interaction "F---K". The final R index is 0.065 for 353 observed reflections.

scholarly journals Zur Stereochemie des freien Elektronenpaares in AX6E-Systemen, IX+ Statisch verzerrtes Anion in [(CH3)2HN(C6H4)NH(CH3)2]TeCl6 / On the Stereochemistry of the Lone-Pair Electrons in AX6E-Systems, IX+ Statically Distorted Anion in [(CH3)2HN(C6H4)NH(CH3)2]TeCl6

1990 ◽  
Vol 45 (5) ◽  
pp. 573-578 ◽  
Author(s):  
André du Bois ◽  
Walter Abriel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Lone Pair ◽  
Intensity Data ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lone Pair Electrons ◽  
Symmetry Rules

Using 293 K diffractometer intensity data, the crystal structure of [(CH3)2HN(C6H4)NH(CH3)2]TeCl6 has been determined by single crystal X-ray technique and refined to a final Rw of 0.022. The yellow crystals are orthorhombic, space group Pna 21, with a = 17.565(2), b = 8.4496(6), c = 12.572(1) Å and Z = 4. The TeCl62- anions show a strong statical distortion with Te—Cl distances from min. 2.39 to max. 2.78 A. The symmetry rules for the stereochemistry of the lone pair electrons in AX6E-systems are confirmed. The influence of hydrogen bonding on the type of distortion is also discussed.

Structure Investigations of Agonists of the Natural Neurotransmitter Acetylcholine, IV [1]. X-Ray Structure Analyses of Trimethylpentylammonium-chloride and (4-Acetoxybutyl) trimethylammonium-iodide

1986 ◽  
Vol 41 (5-6) ◽  
pp. 618-626
Author(s):  
Alfred Gieren ◽  
Michail Kokkinidis
Keyword(s):  
Structure Refinement ◽  
Pharmacological Action ◽  
Ammonium Nitrogen ◽  
Carbonyl Oxygen ◽  
Type B ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Structure Investigations ◽  
Automatic Diffractometer

The crystal structures of the title compounds which display cholinergic activity at the ganglionic receptor have been determined by X-ray structure analysis. [(CH3)3N+C5H11]Cl- (1) crystallizes in the orthorhombic space group Pbnm with half a formula unit per asymmetric unit, a = 11.381(14). b = 12.871(17), c = 7.316(4) Å. The intensities of 1106 independent reflections were collected with an automatic diffractometer. The structure refinement converged at R = 0.133 for the 355 observed reflections. The cation of 1 is disordered. [(CH3)3N + (CH2)4-O-C(O)-CH3]I- (2) crystallizes in the orthorhombic space group P212121 with four formula units per unit cell, a = 16.783(8), b = 10.276(6), c = 7.427(10) Å. The intensities of 1469 independent reflections were collected. The structure refinement converged at R = 0.071 for 1383 observed reflections. In both compounds the trimethylammonio methyl groups are coordinated nearly tetrahedrally by four anions in the first coordination sphere. Anions which occupy a special face type (B) of the tetrahedron of the (CH3)3N+ -CH2-group may be treated as a “model binding site” of the receptor. In the crystal structure of 2 the anions occupying B-type faces form together with the ammonium nitrogen and the carbonyl oxygen so called “Activity triangles”. The almost equal geometries of these activity triangles are correlated with the mode of pharmacological action.

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Komplexe des 1-Thia-4,7-diazacyclononans (L) mit Blei(II), Indium(III), Thallium(I) und (III) Kristallstruktur von [LPb][PbBr4] / Complexes of 1-Thia-4,7-diazacyclononane (L) with Lead(II), Indium(III), Thallium(I) and (III) Crystal Structure of [LPb][PbBr4]

1988 ◽  
Vol 43 (5) ◽  
pp. 567-570 ◽  
Author(s):  
Peter Hoffmann ◽  
Franz-Josef Hermes ◽  
Rainer Mattes
Keyword(s):  
Crystal Structure ◽  
Lone Pair ◽  
Tridentate Ligand ◽  
Crystal Data ◽  
Orthorhombic Space Group ◽  
Space Group

Abstract The reaction of 1-thia-4,7-diazacyclononane (C6H14N2S = L) with salts containing Tl(I) and (III), In(III) and Pb(II) ions yields 1:1 complexes, which can be crystallized as halide or Perchlorate salts. The structure of [LPb][PbBr4] (5) has been determined: Crystal data: orthorhombic, space group P212121, a = 853.2(6), b = 1000.1(4), c = 1860(1) pm, Z = 4. Pb2+ in the [LPb]2+ cation is seven-coordinated by the tridentate ligand and a square of four Br- ions. The Pb-S distance, 286.0(5) pm, is rather short, the lone pair stereochemically activ. The PbBr4- ions are polymeric with octahedrally coordinated lead(II) atoms.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

Darstellung und Kristallstruktur des Bis(diisobutylammonium)-heptasulfids [H2N(i-C4H9)2]2S7 / Synthesis and Crystal Structure of Bis(diisobutylammonium)-heptasulfide [H2N(i-C4H9)2]2S7

1993 ◽  
Vol 48 (12) ◽  
pp. 1732-1736 ◽  
Author(s):  
C. Müller ◽  
P. Böttcher
Keyword(s):  
Crystal Structure ◽  
Orthorhombic Space Group ◽  
Trans Conformation ◽  
Torsion Angles ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Lattice Constants ◽  
Ethanol Yields ◽  
The Common

The reaction of diisobutylamine, H2S, and sulfur in a mixture of dimethylformamide, formamide, and ethanol yields orange crystals of bis(diisobutylammonium)-heptasulfide. The compound crystallizes in the centrosymmetric orthorhombic space group Pbca, the lattice constants are a = 11.234(4), b = 17.875(7), c = 27.009(10) Å. The S72-chain does not have the common helical all-trans-conformation, but a mixed conformation trans-cis-trans (sequence of the signs of torsion angles + + - - and - - + +).

Protoenstatite: a crystal-structure refinement at 1100°C

1971 ◽  
Vol 134 (3-4) ◽  
Author(s):  
Joseph R. Smyth
Keyword(s):  
Crystal Structure ◽  
Melting Point ◽  
Single Crystal ◽  
Structure Refinement ◽  
Three Dimensional ◽  
Intensity Data ◽  
Crystal Structure Refinement ◽  
Space Group

AbstractTechniques allowing single-crystal investigations on the precession camera up to the melting point of platinum have been developed. The crystal structure of protoenstatite has been refined from three-dimensional intensity data obtained at 1100°C using a crystal of enstatite from the Norton County, Kansas meteorite. The space group is

Notizen: Die Kristallstruktur von Rb2Ca(N3)4 · 4 H2O / The Crystal Structure of RB2Ca(N3)4 · 4 H2O

1988 ◽  
Vol 43 (4) ◽  
pp. 497-498
Author(s):  
Franz A. Mautner ◽  
Harald Krischner ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Abstract The crystal structure of Rb2Ca(N3)4 · 4H2O has been determined by single crystal X-ray methods. The compound is isotypic with K2Ca(N3)4 · 4 H2O and crystallizes in the orthorhombic space group Ccca, Z = 4, a = 1949.1(12) pm, b = 1099.5(3) pm, c - 622.2(1) pm.

79Br, 127I NQR of Diammoniumalkyl Halides and Piperazinium Halides. Crystal Structure of Piperazinium Dibromide Monohydrate and Piperazinium Monoiodide

1989 ◽  
Vol 44 (1) ◽  
pp. 41-55 ◽  
Author(s):  
Jutta Hartmann ◽  
Shi-Qi Dou ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Phase Transitions ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Temperature Range

Abstract The 79Br and 127I NQR spectra were investigated for 1,2-diammoniumethane dibromide, -diiodide, 1,3-diammoniumpropane dibromide, -diiodide, piperazinium dibromide monohydrate, and piperazinium monoiodide in the temperature range 77 ≦ T/K ≦ 420. Phase transitions could be observed for the three iodides. The temperatures for the phase transitions are: 400 K and 404 K for 1,2-diammoniumethane diiodide, 366 K for 1,3-diammoniumpropane diiodide, and 196 K for piperazinium monoiodide.The crystal structures were determined for the piperazinium compounds. Piperazinium dibromide monohydrate crystallizes monoclinic, space group C2/c, with a= 1148.7 pm, 0 = 590.5 pm, c= 1501.6pm, β = 118.18°, and Z = 4. For piperazinium monoiodide the orthorhombic space group Pmn 21 was found with a = 958.1 pm, b = 776.9 pm, c = 989.3 pm, Z = 4. Hydrogen bonds N - H ... X with X = Br, I were compared with literature data.

The X-Ray Crystal Structure of 1,2-3,4-Di-O-isopropylidene-4-C-methylthiomethoxy-β-L-arabino-hexoseptanos-5-ulose

1990 ◽  
Vol 43 (12) ◽  
pp. 2083 ◽  
Author(s):  
DC Craig ◽  
VJ James ◽  
JD Stevens
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound (1) has been determined by X-ray diffraction. Crystals of (1) are orthorhombic, space group P21212 with a 11.425(1), b 24.916(1), c 5.8952(3)Ǻ, Z 4. Refinement on 1675 observed reflections measured with Cu Kα radiation converged at R 0.034. The seven- membered ring adopts a boat conformation in which the pseudo plane of symmetry passes through the ring oxygen.

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