NH4+FeBr4- • S4N4, eine Einschlußverbindung von ungeladenem S4N4 in eine ionische Wirtsverbindung

1985 ◽  
Vol 40 (7) ◽  
pp. 861-863 ◽  
Author(s):  
Ulf Thewalt ◽  
Maria Burger ◽  
Regina Mausser ◽  
Konrad Holl
Keyword(s):  
Inclusion Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Close Contacts

Abstract S4N4 reacts with NH4+FeBr4- in benzene to give the 1:1 inclusion compound NH4+FeBr4- • S4N4. The dark red crystals are monoclinic, space group Cc with Z = 4 and lattice constants a = 6.430(1), b = 17.644(4), c = 12.180(2) Å , and β = 90.77(3)°. An X-ray analysis shows that the geometry of the S4N4 group is almost identical to that of crystalline tetrasulfur tetranitride. The S4N4 molecule is surrounded by ionic neigbors in such a way that the S atoms form close contacts to Br atoms of the FeBr4- anions and the N atoms are close to the NH4+ cations.

Anionische Komplexe [Mo2(O2CPh)4X2]2⊖ mit X = N3, Cl, Br. Die Kristallstruktur von (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 / Anionic Complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, Cl, Br. The Crystal Structure of (PPh4)2[Mo2(O2C-Ph)4Cl2] · 2CH2Cl2

1985 ◽  
Vol 40 (1) ◽  
pp. 13-18 ◽  
Author(s):  
Kay Jansen ◽  
Kurt Dehnicke ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Anionic Complexes

The syntheses and IR spectra of the complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, CI, Br and the counter ion PPh4⊕ are reported. The azido and the bromo complexes are obtained from a solution of [Mo2(O2CPh)4] with PPh4N3 in pyridine or by reaction with PPh4Br in CH2Br2, respectively. When (PPh4)2[Mo2(O2CPh)4(N3)2] is dissolved in CH2Cl2, nitrogen is evolved and the complex with X = CI is obtained. The crystal structure of (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 was determined from X-ray diffraction data (5676 observed independent reflexions, R = 0.042). It crystallizes in the monoclinic space group P21/n with four formula units per unit cell; the lattice constants are a = 1549, b = 1400, c = 1648 pm, β = 94.6°. The centrosymmetric [Mo2(O2CPh)4Cl2]2⊖ ion has a rather short Mo-Mo bond of 213 pm, whereas the MoCl bonds are very long (288 pm)

scholarly journals Chemie polyfunktioneller Moleküle, 114 [1]. Synthese und Struktur eines ionischen und nichtionischen, cyclischen Carbaphosphazens und eines Cobalt(III)phosphazen-Komplexes / Chemistry of Polyfunctional Molecules, 114 [1]. Synthesis and Structure of an Ionic and Non Ionic Cyclic Carbaphosphazene and of a Cobalt(III)phosphazene Complex

1994 ◽  
Vol 49 (12) ◽  
pp. 1763-1773 ◽  
Author(s):  
Jochen Ellermann ◽  
Jörg Sutter ◽  
Falk A. Knoch ◽  
Matthias Moll ◽  
Walter Bauer
Keyword(s):  
Mass Spectra ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
H Nmr

Reaction of (1) in CH2Cl2 with benzimidazole yields . The salt [4]+BPh4- has been prepared in THF by metathesis of [4]+Cl- with NaBPh4. Deprotonation of the cationic ring in [4]+BPh4- was accomplished using 1,8-diazabicyclo[5.4.01,7]undec-7-ene and resulted in the six-membered carbacyclophosphazene (6). Treating 1 with 8 -hydroxyquinoline in CH2Cl2 yields the octahedral cis-complex = 8-oxyquinolinate group). The com pounds [4]+BPh4-, 6 and 7 are characterized by their IR, Raman, 31P{1H} NMR, 13C{1H} NMR, 1H NMR and mass spectra. Crystals suitable for X-ray structure analyses have been obtained for [4]+BPh4- and 7×0.5 CH2Cl2. The colourless plates of [4]+BPh4- crystallize in the triclinic space group P1̄, with the lattice constants a = 1172.7(3), b = 1326.2(3), c = 1806.1(6) pm; α = 100.79(2), β = 103.71(3), γ = 108.18(2)°. The black blocks of 7×0.5 CH2Cl2 crystallize in the monoclinic space group P 21/c with the lattice constants a = 1159.0(10), b = 2008.9(10), c = 2034.6(12) pm; β = 105.86(5)°.

Studies on the Nature and Strength of Pt . . .H(-N) Interactions. The Crystal Structures of Chloro[N-(2-aminoethyl)-N-(2-ammonioethyl)ethane-1,2-diamine]platinum(II) Chloride and Dichloro[4,7-diaza-1-azoniacyclononane]platinum(II) Tetrachlor

2000 ◽  
Vol 53 (6) ◽  
pp. 451 ◽  
Author(s):  
Murray S. Davies ◽  
Ronald R. Fenton ◽  
Fazlul Huq ◽  
Edwina C. H. Ling ◽  
Trevor W. Hambley
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Molecular Mechanics ◽  
Metal Ion ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Protonated Amine ◽  
Protonated Amines ◽  
Close Contacts

Two complexes, namely, chloro[N-(2-aminoethyl)-N-(2-ammonioethyl)ethane-1,2-diamine]platinum(II) chloride {[PtCl(tren+H)]Cl2} and dichloro[4,7-diaza-1-azoniacyclononane]platinum(II) tetrachloroplatinate(II)–water (1/2) {[PtCl2(tacn+H)]2[PtCl4]·2H2O}, have been prepared and structurally characterized by single-crystal X-ray diffractometry as part of a study of the nature and strength of Pt···H(–N) interactions. Crystals of [PtCl(tren+H)]Cl2 are monoclinic, space group P21/c, a 8.293(2), b 14.396(6), c 11.305(3) Å, β 107.34(2)º, Z 4, and the structure has been refined to a residual of 0.042 based on 1631 reflections. Crystals of [PtCl2(tacn+H)]2[PtCl4]·2H2O are monoclinic, space group P21/a, a 12.834(4), b 8.206(4), c 13.116(8) Å, β 93.01(4)˚, Z 2, and the structure has been refined to a residual of 0.035 based on 1974 reflections. In [PtCl(tren+H)]2+, the protonated amine forms hydrogen bonds with chloride anions and no close contacts with the metal ion. In [PtCl2(tacn+H)]+, a short intramolecular contact is observed between the metal and the protonated amine and the results of molecular mechanics modelling are consistent with there being a Pt···H hydrogen bond. Molecular mechanics modelling of [PtCl(tren+H)]2+ and [PtCl2(dien+H)]+ shows that the protonated amines could readily form close contacts with the metal. It is concluded that there is evidence for the formation of Pt···H(–N) hydrogen bonds but these bonds are very weak, being similar or lower in energy than Cl···H(–NPt) hydrogen bonds.

Notizen: Eine neue bicyclische Zinn-Selen-Verbindung. Synthese und Kristallstruktur von [{Cp(CO)2Fe}3ClSn3Se4] / A New Bicyclic Tin Selenium Compound. Synthesis and Crystal Structure of [{Cp(CO)2Fe}3ClSn3Se4]

1993 ◽  
Vol 48 (7) ◽  
pp. 1009-1012 ◽  
Author(s):  
Kurt Merzweiler ◽  
Harald Kraus
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Selenium Compound ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Compound Synthesis

[{Cp(CO)2Fe}SnCl3] reacts with Na2Se in THF to form the compound [{Cp(CO)2Fe}3ClSn3Se4] 1. 1 crystallizes in the monoclinic space group P21/n with 4 formula units per unit cell. The lattice constants are α = 1435.2(7), b = 1124.4(4), c = 1972.7(12) pm, β = 94.59(4)°. According to the X-ray structure determination 1 contains a bicyclic Sn3Se4 framework.

Synthese neuer optisch aktiver Rh-Komplexe: Die Kristallstruktur von [(5S)-3,4-Bis(diphenylphosphino)-5-menthoxy-2(5H)-furanon](1,5-cyclooctadien)rhodium-hexafluorophosphat / Synthesis of New Optically Active Rh-Complexes: The Crystal Structure of [(5S)-3,4-Bis(diphenylphosphino)-5-menthoxy-2(5 H)-furanone](1,5-cyclooctadiene)rhodium-hexafluorophosphate

1989 ◽  
Vol 44 (8) ◽  
pp. 884-888 ◽  
Author(s):  
Dieter Fenske ◽  
Kurt Merzweiler
Keyword(s):  
Crystal Structure ◽  
Methyl Ester ◽  
Single Crystal ◽  
Enantiomeric Excess ◽  
Optically Active ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

The chiral diphosphine 1 reacts with [(diolefin)Rh(THF)2]PF6 (diolefine: 1.5-cyclooctadiene, norbornadiene) to form the complexes 4 and 5. The structure of 4 was determined by single crystal X-ray analysis. 4 crystallizes in the monoclinic space group P21. The lattice constants (at 180 K) are: a = 974.0(6); b = 3889.2(29); c = 1309.4(5) pm; β = 105.25(4)°. The hydrogenation of methyl-α-acetamidocinnamate in the presence of 5 yields (R)-N-acetylphenylalanine methyl ester with 33% enantiomeric excess.

Die Röntgenstrukturanalyse der Pyrrolide (CH3)2Al - C4H3NCH3 und (CH3)2Ga - N(CCH3)4 / The X-Ray Structure Determination of the Pyrrolides (CH3)2Al - C4H3NCH3 and (CH3)2Ga - N(CCH3)4

1994 ◽  
Vol 49 (3) ◽  
pp. 430-433 ◽  
Author(s):  
Hans-Dieter Hausen ◽  
Jochen Tödtmann ◽  
Johann Weidlein
Keyword(s):  
Structure Determination ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Metal Ring ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

AbstractN-M ethyl-2-dimethylaluminium pyrrolide, (CH3)2Al -C4H3NCH3, crystallizes in the triclinic space group P1̄ with the lattice constants a = 700.5(1), b = 725.9(1), c = 886.8(1) pm, α = 67.69(1)°, β = 70.99(1)°, γ = 88.48(1)°, and Z = 2. This compound is isotypic with the gallium homologue [1], the shortest metal-ring contact between the two molecules of one unit cell decreases to 228.6 pm. N-dimethylgallium tetramethylpyrrolide has been synthesized from Li-N (CCH3)4 and (CH3)2GaCl. This “π-associate” crystallizes in the monoclinic space group P21/c with the lattice parameters a = 989.9(2), b = 1305.4(3), c = 878.3(2) pm, β - 112.73(1)° and 4 units per cell. Again two centrosymmetrically orientated molecules form a dimer by short (224.0 pm) intermolecular “Ga - πC ” contacts but the structure differs significant from the structure of the indium homologue [1].

Zur Reaktion von Pt(PPh3)4 mit [2,3-Bis(diphenylphosphino)-N-methyl-maleinimid]platin(II)-chlorid / Reaction of Pt(PPh3)4 with [2,3-Bis(diphenylphosphino)-N-methylmaleimide]platinum(II)-chloride

1986 ◽  
Vol 41 (5) ◽  
pp. 575-580 ◽  
Author(s):  
Walter Bensmann ◽  
Dieter Fenske ◽  
Eberhard Matern
Keyword(s):  
Single Crystal ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Pt Complex

Abstract [2,3-Bis(diphenylphosphino)-N-methylmaleimide]PtCl2 reacts with Pt(PPh3)4 to form a new diamagnetic Pt-complex 4. Its formation is a result of P-C-cleavage by insertion of Pt. The structure was determined by single crystal X-ray analysis. 4 crystallizes in the triclinic space group P1̄ (4 A), and in the monoclinic space group P 21/c (4B). The lattice constants (at 180 K) are: 4A: a = 1069.9(8), b = 1494.9(11), c = 2013.7(18) pm, α = 84.27(3), β = 86.24(2), γ = 71.91(2)°;4B: a = 1480.8(5), b = 1488.6(5), c = 3302.8(13) pm, β = 102.61(3)°.

Diagrammes de poudres de l'iminostilbene, C14H11N, de l'iminodibenzyle, C14H13N, et de son derivé: le chloro-3 iminodibenzyle, C14H12ClN

1983 ◽  
Vol 16 (6) ◽  
pp. 649-649
Author(s):  
C. Caranoni ◽  
J. P. Reboul
Keyword(s):  
Crystal Structures ◽  
Psychotropic Drugs ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Orthorhombic Unit Cell ◽  
Acta Cryst ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants

X-ray powder data have been obtained for the three title compounds, fundamental members of a group of psychotropic drugs. For the first two compounds, the crystal structures of which have previously been solved [Reboul, Cristau, Soyfer & Estienne (1980). Acta Cryst. B36, 2683–2688; Reboul, Cristau, Estienne & Astier, (1980). Acta Cryst. B36, 2108–2112], the powder patterns were indexed on the basis of an orthorhombic unit cell with the lattice constants a = 8.22 (1), b = 20.40 (1), c = 6.03 (1) Å, space group Pnma for C14H11N; C14H13N is monoclinic, space group P21/c with a = 11.60 (1), b = 11.27 (1), c = 20.05 (1) Å, and β = 126.5 (1)°. C14H12ClN is also monoclinic, P21 or P21/m, with Z = 2, a = 11.68 (1), b = 8.08 (1), c = 12.13 (1) Å and β = 95.6 (1)°. The JCPDS Diffraction File Nos. for these compounds are: C14H11N 34-1995; C14H13N 34-1996, C14H12ClN 34-1994.

Kristallstrukturen und Schwingungsspektren des Heteropolysulfats [N(CH3)4]6S2V2W16O62 und des Vanadatowolframats Na[N(CH3)4]2VW5O19 · H2O / Crystal Structures and Vibrational Spectra of the Heteropolysulfate [N(CH3)4]6S2V2W16O62 and the Vanadatotungstate Na[N(CH3)4]2VW5O19 · H2O

1982 ◽  
Vol 37 (7) ◽  
pp. 806-814 ◽  
Author(s):  
Alexandru Botar ◽  
Joachim Fuchs
Keyword(s):  
Sodium Ion ◽  
Monoclinic Space Group ◽  
Vibration Band ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Trigonal Bipyramidal ◽  
Active Vibration ◽  
Dawson Structure

Abstract X-ray analysis of [N(CH3)4]6S2V2W16O62 furnishes evidence for the existence of a discrete heteropolysulfate ion. The compound crystallizes monoclinic, space group P21/C with lattice parameters a = 13.361(5) Å, b = 25.378(1) Å, c = 28.847(5) and β = 91.37(3)°. Its anion has the configuration (Dawson structure) first observed in K6P2W18O62 · 14 H2O. [N(CH3)4]2NaVW5O19 · H2O, formed as a side product in the preparation of the hetero-polysulfate, crystallizes in the orthorhombic space group Pmnm with lattice constants a = 12.810(3) Å, b = 10.842 Å and c = 9.703(4) Å. Its anion belongs to the known hexa-metallate type M6O19z− . The sodium ion is pentacoordinate (trigonal bipyramidal). The water of crystallization belonging to its coordination sphere exhibits the extremely short Na-O distance of 2.19 Å. The Na+ ··· H2O grouping appears to cause an IR as well as Raman active vibration band at 1290 cm-1 .

The absolute configuration of Λ-[Co(sen)] [(R,R)(+)tart] C1.6H2O and of Δ-[Co(sen)] [(R,R)(+)tart] C1.4. 5H2O (sen is 5-Methyl-5-(4-amino-2-azabutyl)-3,7-diazanonane-1,9-diamine): A comment on the mode of chiral resolutions by (R,R)(+)Tartrate on the antipodal cations of cobalt(III) salts

1984 ◽  
Vol 37 (11) ◽  
pp. 2365 ◽  
Author(s):  
I Bernal ◽  
JD Korp ◽  
II Creaser
Keyword(s):  
Hydrogen Bonding ◽  
Crystal Structures ◽  
Absolute Configuration ◽  
Close Contact ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Local Block ◽  
Do So ◽  
Close Contacts

The X-ray crystal structures of the Λ and ∆ diastereoisomeric pair of [Co(sen)] [(R,R)(+)tart] ClnH2O (sen is 5-methyl-5-(4-amino-2-azabutyl)-3,7-diazanonane-1,9-diamine, tart is tartrate) have been determined. Crystals of the less soluble Λ isomer, (Λ-(1); n = 6), are othorhombic, space group P212121, with a 10.817(8), b 13.626(8), c 17.724(6) �, while those of the non-preferred Λ isomer, (Λ-(1); n = 4.5), are monoclinic, space group P21, with a 9,469(8), b 12.116(9), c 12.132(7) �, β 95.94(6)�. Both structures were solved by the Patterson method, and refined to R 3.8% (Λ-(1)) and 10.8% (Λ-(1)). In ∆-(1) the waters of hydration are partly disordered in the unit cell. Both crystal structures exhibit extensive hydrogen bonding; however, the mode of contact between the cation and the tartrate dianion in the two compounds is slightly different. In Λ-(1) the three amino hydrogens involved each have only one close contact to a tartrate oxygen, whereas in ∆-(1) each hydrogen has two close contacts. The mode of chiral resolution thus seems to depend on the strength of the hydrogen bonding found in this 'local block', and not simply on its ability to form such a block, since both enantiomers do so.

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