Preparation and Crystal Structure of cis-Tetrachlorobis(cyclooctasulfurmonoxide)tin(IV)

1986 ◽  
Vol 41 (8) ◽  
pp. 951-957 ◽  
Author(s):  
Ralf Steudel ◽  
Jürgen Steidel ◽  
Torsten Sandow
Keyword(s):  
Crystal Structure ◽  
Structural Analysis ◽  
Carbon Disulfide ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Sulfur Oxide ◽  
Molecular Symmetry ◽  
X Ray ◽  
Final Agreement

Abstract Yellow crystals of cis-[SnCl4(S8 O)2] containing the homocyclic sulfur oxide S8O have been prepared from the com ponents in carbon disulfide at -35 °C. An X-ray structural analysis carried out at -105 °C showed the com pound to be monoclinic, space group P21/n with Z = 4 in a unit cell of dimensions a = 821.2(2) pm, b = 1331.9(4) pm , c = 2071.7(6) pm and β = 91.82(2)°. The structure was refined to a final agreement factor R = 0.038 for 2022 reflections. The tin atom is surrounded by a distorted octahedron of two oxygen atoms in cw-positions and four chlorine atoms in accordance with other oxygen-bonded complexes of SnCl4. The molecular symmetry is approximately C2, and the SS bond lengths in the ligands vary between 201 and 218 pm. Vibrational spectra of [SnCl4(S8O)2] are reported. The title compound is the second example containing S8O as a ligand.

The first proof of protonated anion tetrahedra in the tsumcorite-type compounds

2004 ◽  
Vol 68 (5) ◽  
pp. 757-767 ◽  
Author(s):  
T. Mihajlović ◽  
H. Effenberger
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Synthesis ◽  
Single Crystal ◽  
Diffraction Data ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
Synthetic Compounds ◽  
X Ray

AbstractHydrothermal synthesis produced the new compound SrCo2(AsO4)(AsO3OH)(OH)(H2O). The compound belongs to the tsumcorite group (natural and synthetic compounds with the general formula M(1)M(2)2(XO4)2(H2O,OH)2; M(1)1+,2+,3+ = Na, K, Rb, Ag, NH4, Ca, Pb, Bi, Tl; M(2)2+,3+ = Al, Mn3+, Fe3+, Co, Ni, Cu, Zn; and X5+,6+ = P, As, V, S, Se, Mo). It represents (1) the first Sr member, (2) the until now unknown [7]-coordination for the M(1) position, (3) the first proof of (partially) protonated arsenate groups in this group of compounds, and (4) a new structure variant.The crystal structure of the title compound was determined using single-crystal X-ray diffraction data. The compound is monoclinic, space group P21/a, with a = 9.139(2), b = 12.829(3), c = 7.522(2) Å, β = 114.33(3)°, V = 803.6(3) Å3, Z = 4 [wR2 = 0.065 for 3530 unique reflections]. The hydrogen atoms were located experimentally.

Structure of 3α,4α:5β,6β-Diepoxyandrostan-17-one

1983 ◽  
Vol 36 (11) ◽  
pp. 2333 ◽  
Author(s):  
B Kamenar ◽  
RA Pauptit ◽  
JM Waters
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

The X-ray crystal structure of 3α,4α:5β,6β-diepoxyandrostan-17-one has been determined. Crystals of the title compound (C19H26O3)are monoclinic, space group P21, with a 9.208(2), b 9.620(4), c 9.312(3) �, β 99.14(2)�, V 814.5 Ǻ3 and Z 2. The structure was solved by direct methods and refined to R 0.039 for 887 observed reflexions. The 3α,4α:5β,6β configuration of the epoxide rings confirms the assignment based on proton n.m.r. studies.

A Novel Alkali-Metal Hydrido-tris(pyrazolyl)borate (Tp*) Complex. Isolation and Crystal Structure of [(Me2CO)3(NaTp*)2]

2014 ◽  
Vol 69 (7) ◽  
pp. 793-798
Author(s):  
Laurent Plasseraud ◽  
Hélène Cattey
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Sodium Hydroxide ◽  
Title Compound ◽  
Room Temperature ◽  
Crystallographic Analysis ◽  
Monoclinic Space Group ◽  
Large Excess ◽  
X Ray ◽  
Acetone Water

The title compound was isolated from the treatment of Tp*Sn(Cl)2Bu (1) with a large excess of sodium hydroxide in a mixture of acetone-water at room temperature. [(Me2CO)3(NaTp*)2] (2) crystallizes at 4 °C as prismatic colorless crystals, in the monoclinic space group P21/c with Z = 4, a = 12.2837(6), b = 24.3197(12), c = 16.9547(8) Å, β = 110.017(1)°, and V = 4759.0(4) Å3. The X-ray crystallographic analysis revealed a dinuclear unit in which two Tp*Na moieties are held together by three bridging acetone molecules acting as oxygen-based donors.

The synthesis, molecular and crystal structure of the 1:1 adduct of triphenyltin chloride with 2,3-diphenylthiazolidin-4-one

1995 ◽  
Vol 73 (1) ◽  
pp. 95-99 ◽  
Author(s):  
Frank E. Smith ◽  
Rosemary C. Hynes ◽  
John Tierney ◽  
Ying Z. Zhang ◽  
George Eng
Keyword(s):  
Crystal Structure ◽  
Structural Analysis ◽  
Oxygen Atom ◽  
Dutch Elm Disease ◽  
Monoclinic Space Group ◽  
Monodentate Ligand ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Triphenyltin Chloride ◽  
Mössbauer Data

The title compound was synthesized as part of an effort to produce a more effective fungicide to combat Dutch Elm Disease (DED), which is caused by the fungus Ceratocystisulmi. A full X-ray structural analysis of the 1:1 adduct has been carried out and the results are reported along with the Mössbauer data for the compound. The crystals are monoclinic, space group P21/a with a = 19.240(3) Å, b = 9.1463(24) Å, c = 19.3512(24) Å, β = 118.874(8)°, V = 2982.0(10) Å3, z = 4, and Dcalc = 1.427 Mg m−3. The final discrepancy factors are RF = 0.056 and Rw = 0.058 for 1915 significant reflections. The QS and IS values in the Mössbauer spectrum of the complex are 3.08 mm s−1 and 1.28 mm s−1, respectively. The 2,3-diphenylthiazolidin-4-one behaves as a monodentate ligand and coordinates to the tin through the oxygen atom. The complex exhibits a trigonal bipyramidal configuration with the three phenyl groups in equatorial positions and the chloride and ligand oxygen occupying the apical sites. Keywords: triorganotin, fungicide, Dutch Elm Disease, thiazolidin-4-one.

Kristallstruktur und Schwingungsspektren von Li5CrCl8 / Crystal Structure and Vibrational Spectra of Li5CrCl8

1992 ◽  
Vol 47 (12) ◽  
pp. 1687-1692 ◽  
Author(s):  
Heinz Dieter Lutz ◽  
Peter Kuske ◽  
Arno Pfitzner ◽  
Hermann-Josef Steiner
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Structure Type ◽  
The Novel ◽  
X Ray ◽  
Symmetry Coordinates ◽  
Unknown Structure ◽  
Ir And Raman

The crystal structure of the novel pink Li5CrCl8 oC28 has been determined by both single crystal X-ray and neutron powder studies. The title compound crystallizes in a hitherto unknown structure type (space group C mmm, Z = 2). The final R values are R = 3.4% (715 independent reflections with I > 3aI) and Rwp = 11.5%, respectively (a = 1019.79(3), b = 723.94(2) and c = 726.16(3) pm). The structure consists of edge-connected Li(l)Cl6 and alternating edge-connected Li(2)Cl6 and CrCl6 octahedra, respectively. It is related to the NaCl super structure SnMn2S4 type. IR and Raman spectra as well as symmetry coordinates are given and discussed in terms of CrCl6 and LiCl6 breathing modes.

The preparation and characterisation of Sb3Cl11F4

1977 ◽  
Vol 55 (5) ◽  
pp. 743-748 ◽  
Author(s):  
Jack G. Ballard ◽  
Thomas Birchall ◽  
David R. Slim
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Mössbauer Spectra ◽  
Three Dimensional ◽  
Chlorine Atoms ◽  
Space Group ◽  
X Ray ◽  
Mossbauer Spectra ◽  
Final Agreement

The title compound has been prepared by the reaction of SbF5 and SbCl5 in liquid SO2. Raman and Mössbauer spectra have been recorded and its crystal structure determined by three-dimensional X-ray counter measurements. Crystals are monoclinic with a = 12.359(6) Å, b = 16.480(10) Å, c = 9.387(3) Å, β = 103.96(5)°. The structure has been refined in the space group P21/n to a final agreement index R2 of 0.113 for 2415 independent reflections. The structure consists of a cis fluorine-bridged trimer with one of the chlorine atoms 25% substituted by fluorine.

Barrydawsonite-(Y), Na1.5CaY0.5Si3O9H: a new pyroxenoid of the pectolite–serandite group

2015 ◽  
Vol 79 (3) ◽  
pp. 671-686 ◽  
Author(s):  
R. H. Mitchell ◽  
M. D. Welch ◽  
A. R. Kampf ◽  
A. K. Chakhmouradian ◽  
J. Spratt
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Red Wine ◽  
Structural Formula ◽  
Potassium Feldspar ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
X Ray ◽  
Final Agreement ◽  
Simplified Formula

AbstractThe new pyroxenoid barrydawsonite-(Y) occurs at the Merlot Claim, North Red Wine Pluton, Labrador, Canada (62°32'38.54'' W; 54°08'1.37'' N). The host rock is a metamorphosed eudialyte syenite consisting of eudialyte, potassic arfvedsonite, jadeitic aegirine, nepheline, albite and potassium feldspar with accessory Y-bearing pectolite, britholite and steenstrupine. Barrydawsonite-(Y) crystals commonly have discrete thin rims of Y-bearing pectolite. The average empirical formula (based on nine anions p.f.u.) is Na1.54Ca0.74Mn0.15Fe0.07Y0.38Nd0.01Sm0.01Gd0.02Tb0.01Dy0.04Ho0.01Er0.02Yb0.01Si3.00O9H. The simplified formula is Na1.5Y0.5CaSi3O9H. Barrydawsonite-(Y) is related to pectolite by the substitution ½[NaM3+Ca–2] (M3+ = Y,REE), and is exceptional in being the only member of the pectolite group that has the structure of the monoclinic M2abc polytype. The crystal structure has been determined in monoclinic space group P21/a: a = 15.5026(2), b = 7.0233(1), c = 6.9769(1) Å, β = 95.149(1)°, V = 756.58(2) Å3(Z = 4). Final agreement indices are R1 = 0.038, wR2 = 0.068, Goof = 1.136. The asymmetric unit of barrydawsonite-(Y) has three metal sites: M(1) = Ca, M(2) = Na0.5(Y,REE)0.5, M(3) = Na. M(1) and M(2) are octahedrally-coordinated sites, whereas M(3) is [8]-coordinated as in pectolite and serandite. The structural formula for the empirical composition is M(3)Na1.00M(2)(Na0.50Y0.38REE0.13)Σ=1.01M(1)(Na0.04Ca0.74Mn0.152+Fe0.072+)Σ=1.00Si3O9H. There is excellent agreement between the refined site-scattering values and those calculated based upon the structural formula.Barrydawsonite-(Y) is biaxial (+) with α = 1.612(1), β = 1.617(1), γ = 1.630(1) (white light) and 2V = 63(1)°. The five strongest peaks in the X-ray powder diffraction pattern are [dobs (Å), Iobs%, (hkl)]: [2.905, 100, (023)], [3.094, 30, (210,211,121,202)], [1.7613, 29, (127,323,040)], [3.272, 27, (202,104)], [1.7016, 27, (140,227,325)].

scholarly journals Synthesis and Single Crystal X-Ray Structure of New (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Mohamed I. Attia ◽  
Hazem A. Ghabbour ◽  
Aida A. El-Azzouny ◽  
Omar A. Al-Deeb ◽  
Maha S. Almutairi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystal ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Imine Bond

Synthesis, spectroscopic characterization and X-ray crystal structure of a new (2E)-2-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide (4) are reported. The stereochemistry of the title compound4, C19H19N5O, about the imine bond [1.296 (4) Å] was assigned to have (E)-configuration. In the urea moiety, the N–H entities aretransto each other, and one of these forms is an intramolecular N–H⋯H hydrogen bond. The compound crystallizes in the monoclinic space groupP21/cwitha= 5.8093 (2) Å,b= 20.5575 (6) Å,c= 14.0355 (5) Å,α= 90.00°,β= 97.365° (2),γ= 90.00°,V= 1662.36 (10) Å3, andZ= 4. The molecules are packed in crystal structure by weak intermolecular hydrogen interactions.

Reorientation of the CCl3 Group in Chloral 4-Chlorobenzylhemiacetal. A Pulsed 35Cl NQR and X-ray Study

1992 ◽  
Vol 47 (1-2) ◽  
pp. 293-298 ◽  
Author(s):  
Masao Hashimoto ◽  
Takahiro Isono ◽  
Noriko Yomesaka ◽  
Haruo Niki ◽  
Hiroshi Kyan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Potential Barrier ◽  
Title Compound ◽  
Sharp Decrease ◽  
Monoclinic Space Group ◽  
Ccl3 Group ◽  
X Ray ◽  
35Cl Nqr ◽  
Ca 50 ◽  
Cl Atom

AbstractThe crystal structure of the title compound was determined at 291 K : monoclinic, space group C52h-P21/n, Z = 4, a = 1693.2(1), b = 579.3(1), c = 1232.5(1) pm, and ß = 107.21 (1)°, R = 0.0415. A sharp decrease of of Cl NQR found at T ≳ 270 K for the CCl3 group is attributed to the reorientation of the group over a potential barrier of ca. 50 kJ/mol. Intermolecular interactions between the CCl3 and the neighboring atoms seem to dominate the magnitude of the potential barrier. T1-1 of the 35Cl NQR of the Cl atom on the benzene ring obeyed the T2 law well in the range 80 ≲ T/K ≲ 270, while at T ≳ 280 K it deviated from the T2 law.

scholarly journals Synthesis and Crystal Structure ofN-Dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine

2015 ◽  
Vol 2015 ◽  
pp. 1-5
Author(s):  
Shuang Gao ◽  
Hai-Tao Qu ◽  
Fei Ye ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound,N-dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine, was synthesized and characterized. The crystal structure of the title compound (C11H10Cl3NO2,Mr=294.55) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space groupP21/c, witha=6.7619(14),b=24.866(5),c=9.737(3) Å,α=90.00,β=130.982(18),γ=90.00°,V=1235.9(5) Å3,Z=4,Dx=1.583 Mg/cm3,λ(Mo  Ka)=0.71073 Å,F(000)=600,μ=0.729 mm−1,R=0.0476, andwR=0.1274for 2217 reflections withI>2σ(I).

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