The Preparation and Crystal Structure of Ethyl 5-p-Tolylsulfonyl-2,4,5,6-tetrahydro- pyrrolo[3,4-c]pyrrole-1-carboxylate

1999 ◽  
Vol 52 (5) ◽  
pp. 421 ◽  
Author(s):  
Graham Smith ◽  
Jonathan M. White ◽  
Dennis P. Arnold ◽  
Lindsay Wilmott
Keyword(s):  
Crystal Structure ◽  
Heterocyclic System ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
A Cell ◽  
Ray Methods

The potential porphyrin precursor ethyl 5-p-tolylsulfonyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-1- carboxylate has been synthesized and its crystal structure determined by X-ray methods, giving a refinement residual R 0·038 for 5130 observed reflections. Crystals are triclinic, space group P 1, with Z = 4 in a cell of dimensions a 10·5030(6), b 11·2843(8), c 15·236(1) Å, α 109·419(6), β 97 · 697(6), γ 95 · 651(6)°. The two molecules in the crystallographic repeating unit are pseudo-mirror-related, and the heterocyclic system is almost planar in both molecules.

Über die Kristallstruktur von KSc2 F7 / The Crystal Structure of KSc2 F7

1985 ◽  
Vol 40 (6) ◽  
pp. 726-729 ◽  
Author(s):  
Klaus Güde ◽  
Christoph Hebecker
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Monoclinic Unit Cell ◽  
R Value ◽  
Ray Methods

Abstract Single crystals of KSc2F7 have been prepared from a mixture of KF and ScF3 . The samples were investigated by X-ray methods. KSc2F7 crystallizes orthorhombically with a = 10.643(2), b = 6.540(1), c = 4.030(1) Å. These data indicate a close crystallographic connection to the monoclinic unit cell of KIn2F7 [1], But in contrast to KIn2F7 , KSc2 F7 crystallizes in space group No. 65. Cmmm - D192h. The R-value for 341 observed independent reflections is 0.060.

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.

Die Kristallstruktur von SrHg(SeCN)4 · 4 Pyridin / The Crystal Structure of SrHg(SeCN)4 · 4 Pyridine

1984 ◽  
Vol 39 (5) ◽  
pp. 582-585 ◽  
Author(s):  
Klaus Brodersen ◽  
Manfred Cygan ◽  
Hans-Ulrich Hummel
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Experimental Error ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Single crystals of SrHg(SeCN)4 · 4 pyridine are prepared by reaction of K2Hg(SeCN)4 with SrCl2 in CH3OH/C2H5OH in the presence of pyridine.The crystal structure was solved with X-ray methods (Mr = 1024.1, space group P4̄n2, Z = 2, a = 9.552(2) Å, c = 17.610(7) Å, V = 1606.7 Å3, λ(AgKα) = 0.5583 Å, dc = 2.12 g cm-3, μ(AgKα) = 57.40 cm-1, F(000) = 943.7, T = 298 K. Final R = 0.043 for 1050 independent reflections).The structure consists of nearly tetrahedral Hg(SeCN)4-units. The SeCN-group is linear within the experimental error. The N-atoms of SeCN and pyridine contribute to the Archimedean antiprismatic coordination of strontium

Über das Erdalkalimetall-Lanthanoid-Kupfer-Oxomolybdat (Cu0,22Mg0 ,78)BaNd2Mo4O16/The Alkaline Earth Rare Earth Copper-Oxomolybdate (Cu0.22Mg0.78)BaNd2Mo4O16

1995 ◽  
Vol 50 (4) ◽  
pp. 577-580 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystals ◽  
Alkaline Earth ◽  
Three Dimensional ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Single crystals of (Cu0.22Mg0.78)BaNd2Mo4O16 have been prepared by crystallization from melts and investigated by X-ray methods. The compound crystallizes monoclinically, space group C62h - C12/c1, Z = 4, a = 5.351(1), b = 12.891(2), c = 19.391(4) Å,β = 90.899(14)° and is isotypic to CuKHo2Mo4O16. The crystal structure is dominated by BaO10 and NdO8 polyhedra forming a three-dimensional polyhedra network, which is filled by axially distorted (Cu,Mg)O6 octahedra and MoO4 tetrahedra.

The conformation of (1S,3S,4R)- 1,3,8-Tribromo-p-menthan-2-one

1983 ◽  
Vol 36 (5) ◽  
pp. 1043 ◽  
Author(s):  
RM Carman ◽  
E Horn ◽  
CHL Kennard ◽  
G Smith ◽  
MR Snow ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
A Cell ◽  
Twist Boat

The crystal structure of (1S,3S,4R)-1,3,8-tribromo-p-menthan-2-one has been determined from X-ray diffraction data and refined to a final residual of 0.075 for 635 'observed' reflections. Crystals are orthorhombic, of space group P212121 with four molecules in a cell of dimensions a 15.248(3), b 12.189(3), c 7.201(2) �. The analysis confirms that the molecule exists in a distorted twist-boat conformation.

Bildung von Arsensäure aus [As2Cl8]2Ionen und Ozon. Die Kristallstruktur von PPh4Cl · H3AsO4 / Formation of Arsenic Acid from [As2Cl8]2- Ions and Ozone. Crystal Structure of PPh4Cl · H3AsO4

1992 ◽  
Vol 47 (12) ◽  
pp. 1677-1680 ◽  
Author(s):  
Karin Ruhlandt-Senge ◽  
Alfred-Dirk Bacher ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Low Temperatures ◽  
X Ray Diffraction ◽  
Arsenic Acid ◽  
Subsequent Reaction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray

Reaction of ozone with (PPh4)2[As2Cl8] in CH2C12 at low temperatures yields a red compound, possibly an ozonide. Upon evaporation of the solvent at –78 °C the ozone is released again. At -40 °C or above a subsequent reaction yields PPh4[AsCl6], PPh4Cl · H3AsO4, and other products. The crystal structure of PPh4Cl · H3AsO3 was determined by X-ray diffraction (4253 observed reflexions, R = 0.031). It is triclinic, space group P1̅, and consists of H3AsO4 molecules joined to dimer units via H bridges and associated via O–H · · · Cl- bridges to strands. The packing of the PPh4+ ions is discussed. Products of the reaction of (PPh4)2[Sb2Cl8] with ozone in CH2C12 are PPh4[SbCl6] and (PPh4)2[SbOCl4]2 · 2 CH2Cl2.

Darstellung und Kristallstruktur von MgNi2,5B3 und Li1,2Ni2,5B2 / Preparation and Crystal Structure of MgNi2,5B2 and Li1,2Ni2,5B2

1977 ◽  
Vol 32 (12) ◽  
pp. 1371-1374 ◽  
Author(s):  
Walter Jung
Keyword(s):  
Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

The ternary borides MgNi2,5B2 and Li1,2Ni2,5B2 have been prepared and investigated by X-ray methods. They are isotypic and crystallize hexagonal in the space group P6222—D46-with the following constants :MgNi2.5B2 α = 4.887 ± 0.002 Å, c = 8.789 ± 0.004 Å;Li1.2Ni2.5B2 a = 4.842 ± 0.002 Å, c = 8.664 ± 0.004 A.The structure contains boron-pairs and can be derived from the CeCo3B2-type of structure.

Synthese und Kristallstruktur von l,13-Bis(8-chinolyl)- 1,4,7,10,13-pentaoxatridecan-diquecksilber(I)-diperchlorat

1991 ◽  
Vol 46 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Klaus Brodersen ◽  
Jörg Zimmerhackl
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
R Value ◽  
Torsional Angles ◽  
L 13 ◽  
Oxygen Atoms

1,13-Bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane-dimercury(I)-diperchlorate is formed by the reaction of 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane in ethanol with an aqueous solution of dimercury(I)-diperchlorate.It crystallizes in the triclinic space group P Ī with a = 1020.6(2), b = 1200.6(8), c = 1441.1(6) pm , α = 69.60(5)°, β = 83.04(13)°, y = 66.53(4)° and Z = 2. The crystal structure was determined by X -ray diffraction and refined to an R-value o f 0.079. The Hg22+ -ion is coordinated to both nitrogen atoms and four oxygen atoms of one molecule of the ligand. By changing four C - O torsional angles from trans to gauche, the ligand adopts a helical, chiral configuration around the Hg22+-ion. The CIO4--ions are not coordinated to the Hg22+-ion.

Synthesis and X -Ray Crystal Structure of the Heterobimetallic Complex [FeRh (μ-CO)(CO)3((μ-PBut2)((μ-Ph2PCH2PPh2)]

1997 ◽  
Vol 52 (7) ◽  
pp. 810-814 ◽  
Author(s):  
Hans-Christian Böttcher ◽  
Kurt Merzweiler ◽  
Clemens Bruhn
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Room Temperature ◽  
Metal Carbonyl ◽  
Homogeneous Catalyst ◽  
Catalyst Precursor ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Heterobimetallic Complex

Abstract The reaction of the phosphido-bridged metal carbonyl [FeRh(CO)6(μ-PBut2)] (1) with dppm [dppm = bis(diphenylphosphino)methane] leads to the heterobimetallic complex [FeRh(μ-CO)(CO)3(μ-PBut2)(μ-dppm)] (2) in good yields. The molecular structure of 2 was determined at room temperature [triclinic, space group P1̄, a = 9.509(6), b = 13.637(5), c = 14.926(8) Å, α = 81.38(4), β = 82.75(4), γ = 71.25(4)°]. The compound acts as a homogeneous catalyst precursor in the hydroformylation reaction of ethylene, but it decomposes during this process.

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.

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