scholarly journals Bipyridylacetylenes 1: the synthesis of some bipyridylacetylenes via the palladium-catalyzed coupling of acetylenes with 2,2′-dibromobipyridyl, and the single crystal X-ray structure of 6,6′-bisphenylethynyl-2,2′-bipyridine

1991 ◽  
Vol 69 (7) ◽  
pp. 1117-1123 ◽  
Author(s):  
Ian R. Butler ◽  
Chantal Soucy-Breau
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Key Words ◽  
Dihedral Angle ◽  
Palladium Catalysis ◽  
Crystal Data ◽  
X Ray ◽  
Acetylenic Bond ◽  
Palladium Catalyzed

The synthesis of a series of 6,6′-diethynyl-2,2′-bipyridyls from the palladium-catalyzed coupling of 6,6′-dibromo-2,2′-bipyridine with a series of arylacetylenes is reported. The single crystal X-ray structure of 6,6′-phenylethynyl-2,2′-bipyridyl was determined. Crystal data: monoclinic, A2/a, with cell constants a = 10.0385(4), b = 9.2166(4), c = 21.4130(8) Å, and β = 102.981(3)°; Dcalc. = 1.226 g cm−3, Z = 4, Rf = 0.045, S = 1.22, using 886 reflections of the 1443 unique reflections. The packing diagram indicates essentially that the molecules pack in a layered assembly with the nitrogen atoms of the dipyridyl groups on opposite sides and with a dihedral angle of 59.85(16)° between the pyridyl and phenyl groups. The acetylenic bond distances are normal. Key words: acetylene, palladium, catalysis, coupling, monomers, crystal structure.

Kristallzucht und Strukturaufklärung von K2[Pt(CN)4Cl2], K2[Pt(CN)4Br2], K2[Pt(CN)4I2] und K2[Pt(CN)4Cl2] · 2H2O/ Crystal Growth and Crystal Structure Determination of K2[Pt(CN)4Cl2], K2[Pt(CN)4Br2], K2[Pt(CN)4I2] and K2[Pt(CN)4]Cl2] · 2H2O

2004 ◽  
Vol 59 (5) ◽  
pp. 567-572 ◽  
Author(s):  
Claus Mühle ◽  
Andrey Karpov ◽  
Jürgen Nuss ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Infrared Spectroscopy ◽  
Crystal Growth ◽  
Single Crystal ◽  
Structure Determination ◽  
Spectroscopy Data ◽  
Crystal Data ◽  
X Ray ◽  
Raman And Infrared Spectroscopy

Abstract Crystals of K2Pt(CN)4Br2, K2Pt(CN)4I2 and K2Pt(CN)4Cl2 ·2H2O were grown, and their crystal structures have been determined from single crystal data. The structure of K2Pt(CN)4Cl2 has been determined and refined from X-ray powder data. All compounds crystallize monoclinicly (P21/c; Z = 2), and K2Pt(CN)4X2 with X = Cl, Br, I are isostructural. K2Pt(CN)4Cl2: a = 708.48(2); b = 903.28(3); c = 853.13(3) pm; β = 106.370(2)°; Rp = 0.064 (N(hkl) = 423). K2Pt(CN)4Br2: a = 716.0(1); b = 899.1(1); c = 867.9(1) pm; β = 106.85(1)°; R(F)N′ = 0.026 (N’(hkl) = 3757). K2Pt(CN)4I2: a = 724.8(1); b = 914.5(1); c = 892.1(1) pm; β = 107.56(1)°; R(F)N′ = 0.025 (N’(hkl) = 2197). K2Pt(CN)4Cl2 ·2H2O: a = 763.76(4); b = 1143.05(6); c = 789.06(4) pm; β = 105.18(1)°; R(F)N′ = 0.021 (N’(hkl) = 2281). Raman and infrared spectroscopy data are reported.

scholarly journals Darstellung und Kristallstruktur der Verbindungen MnCuX (X = P, As, PxAs1-x) / Preparation and Crystal Structure of Compounds MnCuX (X = P, As, PxAs1-x)

1992 ◽  
Vol 47 (7) ◽  
pp. 925-928 ◽  
Author(s):  
Joachim Mündelein ◽  
Hans-Uwe Schuster
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Magnetic Measurements ◽  
Crystal Data ◽  
Melting Points ◽  
Space Group ◽  
X Ray ◽  
Ternary Compounds ◽  
Antiferromagnetic Ordering

Three new ternary compounds MnCuP, MnCuP0.5As0.5 and MnCuAs have been prepared and characterized by X-Ray, DTA and magnetic measurements. They crystallize orthorhombically in the space group P nma (No. 62). The structures were calculated from single crystal data. The melting points were determined by DTA measurements (MnCuP: 1090°C; MnCuP0.5As0.5: 1000 °C; MnCuAs: 950 °C). MnCuAs appears to show an antiferromagnetic ordering up to 295 K.

Crystal data for Cu2Th4(MoO4)9 and isostructural compounds

1998 ◽  
Vol 13 (2) ◽  
pp. 107-112 ◽  
Author(s):  
S. Launay ◽  
M. Quarton
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Chemical Study ◽  
Crystal Data ◽  
Space Group ◽  
X Ray

Cu2Th4(MoO4)9 is cubic: a=14.4856(1) Å, space group I4¯3d, Z=4. Its crystal structure was recently determined using a single crystal. The results of chemical study allow one to reject the existence of Li4Th7(MO4)16 and La(MO4)(ReO4) compounds with M=Mo, W, reported as isostructural with Cu2Th4(MoO4)9. Precise X-ray powder patterns are established for Cu2Th4(MoO4)9 and isotypic compounds Li2Th4(MoO4)9, Li2Th4(WO4)9, and La4(MoO4)3(ReO4)6.

scholarly journals Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate

2020 ◽  
Vol 76 (7) ◽  
pp. 1096-1100
Author(s):  
Theerachart Leepasert ◽  
Patchreenart Saparpakorn ◽  
Kittipong Chainok ◽  
Tanwawan Duangthongyou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Natural Product ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Hydroxyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ring Form

The crystal structure of the natural product zeylenone, C21H18O7, was confirmed by single-crystal X-ray diffraction. The crystal structure has three chiral centers at positions C1, C5 and C6 of the cyclohexanone ring, but the absolute configuration could not be determined reliably. The methyl benzoate and benzoyloxy substituents at positions C1 and C5 of the cyclohexenone ring are on the same side of the ring with the dihedral angle between their mean planes being 16.25 (10)°. These rings are almost perpendicular to the cyclohexenone ring. The benzoate groups and two hydroxyl groups on the cyclohexenone ring form strong hydrogen bonds to consolidate the crystal structure. In addition, weak C—H...O hydrogen bonds also contribute to the packing of the structure.

Crystal Structure of 3-Indolepropionic Acid

2013 ◽  
Vol 454 ◽  
pp. 272-275
Author(s):  
Li Hua Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Ethanol Solution ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Single Crystal Diffraction ◽  
One Dimensional ◽  
X Ray

The crystals of 3-indolepropionic acid have been obtained by evaporation from ethanol solution. The crystal structure of the 3-indolepropionic acid was determined by X-ray single crystal diffraction analysis. The crystal data for 3-indolepropionic acid: monoclinic, space group P2(1)/c, a = 14.3592(8) Å, b = 5.2446(2) Å, c = 12.3518(6) Å, V = 926.96(8) Å3, Z = 4, Mr = 189.21, De = 1.356 g/cm3, T = 298(2) K, F (000) = 400, R = 0.0435 and wR = 0.1010. The compound forms one-dimensional chained structure through hydrogen bonds and π-π interaction.

The selective complexation of adamantane nitriles by tungsten pentacarbonyl

1996 ◽  
Vol 74 (1) ◽  
pp. 107-113 ◽  
Author(s):  
Valerie J. Jefford ◽  
Melbourne J. Schriver ◽  
Michael J. Zaworotko
Keyword(s):  
Crystal Structure ◽  
Key Words ◽  
Crystal Data ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Pure Compounds ◽  
Semi Empirical ◽  
Oxygen Atoms ◽  
Selective Complexation

Adamantyl-1,3,4-oxathiazol-2-one is usually prepared as a mixture with 1-adamantanecarbonitrile. To separate these two compounds the mixture is reacted with thf•W(CO)5, which selectively forms a complex with the nitrile. The resulting mixture can then be readily separated into pure compounds by sublimation. Characterization data are presented, including the X-ray crystal structure of the nitrile complex, which can be prepared directly from the reaction of the adamantyl nitrile and thf•W(CO)5. (Crystal data for C16H15NO5W: orthorhombic, space group Pmcn, a = 10.5869(19) Å, b = 14.0622(22) Å, c = 23.342(4) Å, V = 3475.0(11) Å, Z = 8, R = 0.042.) The nitrile can be recovered from the complex by reaction with P(C6H5)3 followed with separation by sublimation. The reaction of the related 1-cyano-3-(1,3,4-oxathiazol-2-on-5-yl)-adamantane with thf•W(CO)5 yields a complex in which the site of coordination is shown spectroscopically to be the nitrile moiety. Semi-empirical calculations at the PM3 level indicate that the oxathiazolone heterocycle may be a poor ligand due to the influence of the exo- and endo-cyclic oxygen atoms. Key words: oxathiazolone, nitrile, tungsten, complexation, selectivity, adamantane.not available

Schwermetall-π-Komplexe II [1] Arenkomplexe des Quecksilbers(I)

1987 ◽  
Vol 42 (7) ◽  
pp. 828-834 ◽  
Author(s):  
W. Frank ◽  
B. Dincher
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Aluminium Trichloride

Abstract The crystalline compounds [(CH3C6H5)2Hg,][AlCl4]2 (1), [(1,2-(CH3)2C6H4)2Hg2][AlCl4]2(2), [(1,3,5-(CH3)3C6H3)2Hg2][AlCl4]2 (3), [1,2,4,5-(CH3)4C6H2Hg2][AlCl4]2 (4) and [((CH3)6C6)2Hg2][AlCl4]2-CH3C6H5 (5) have been prepared from mercury(I)chloride, aluminium trichloride and the corresponding arenes and characterized by elem ental analysis. The crystal structure of 5 has been determ ined from single crystal X-ray diffraction data and refined to R - 0.093 for 3269 unique reflections. Crystal data: monoclinic, space group P21/c, a = 2116(1), b = 1095.1(7), c = 1880(1) pm, β - 104,9(1)°, Z = 4. Each atom of a central Hg2 unit (Hg -Hg distance 251.5 pm) is asymmetrically complexed by hexamethylbenzene, the Hg - Carene distances being in the range from 241 to 340 pm. Two distorted AlCl4 tetrahedra complete a “molecular” [arene2Hg2][AlCl4]2 unit. The shortest Hg-Cl distances are 310 and 312 pm, respectively.

Ein neuer Zugang zu Tetrathiooxalaten. Die Kristallstruktur von (NEt4)2[C2S4] / A Novel Access to Tetrathiooxalates. Crystal Structure of (NEt4)2[C2S4]

1992 ◽  
Vol 47 (5) ◽  
pp. 702-705 ◽  
Author(s):  
Alfred D. Bacher ◽  
Irina Sens ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Point Symmetry ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Subsequent Addition

(NEt4)2S5 was prepared from NEt4Cl and Na2S4 in ethanol. Its reaction with boiling acetonitrile yielded tetraethylammonium tetrathiooxalate. (NEt4)2[C2S4] was also obtained by heating (NEt4)2S5 with tetraethylammonium dithioacetate in ethanol. Benzyltriethylammonium tetrathiooxalate, (NEt3Bz)2[C2S4]· 2 toluene, crystallized after NEt3BzCl and Na2S4 were heated in acetonitrile on subsequent addition of toluene. The crystal structure of (NEt4)2[C2S4] was determined by X-ray diffraction (454 independent observed reflexions, R = 0.047). Crystal data: tetragonal, a = 871.2(1) pm, c = 1566.0(3) pm, space group P42/nmc, Z = 2. The [C2S4]2- ion has point symmetry 4m2 (D2d), i.e. the dihedral angle between the two CS2 groups is 90°. The ethyl groups of the NEt4+ ions are disordered in two orientations.

scholarly journals Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline

2018 ◽  
Vol 74 (7) ◽  
pp. 1013-1016
Author(s):  
Morten K. Peters ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Powder Diffraction ◽  
Crystalline Phase ◽  
Title Compound ◽  
Molecular Packing ◽  
Crystal Data ◽  
X Ray ◽  
Compound C

The crystal structure of the title compound, C11H10N4, comprises molecules in a trans conformation for which all the atoms are located in general positions. The six-membered rings are coplanar and this arrangement might be stabilized by intramolecular N—H...N hydrogen bonding. In the crystal, the molecules are linked into helical chains parallel to the b axis via N—H...N hydrogen bonding. The molecular packing shows a herringbone-like pattern along the a axis. Comparison of the X-ray powder diffraction with that calculated from single crystal data proves that a pure crystalline phase was obtained and UV–Vis measurements reveal that only the trans isomer is present.

Darstellung and Kristallstruktur von [(C6H5)4As]2M(NO3)5 (M = Ho, Er, Tm, Yb) / Preparation and Crystal Structure of [(C6H5)4As]2M(NO3)5 (M = Ho, Er, Tm, Yb)

1983 ◽  
Vol 38 (3) ◽  
pp. 299-302 ◽  
Author(s):  
W. Urland ◽  
E. Warkentin
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe compounds [(C6H5)4As]2M(NO3)5 (M = Ho, Er, Tm, Yb) were prepared and investigated by X-ray diffraction. It has been found that they are isotypic with [(C6H5)4As]2Eu(NO3)5. The structure was refined by single crystal data for [(C6H5)4As]2Er(NO3)5.

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