Crystal and Molecular Structure of Cycasin, (Z)-β-D-Glucopyranosyloxy-NNO-azoxymethane

1995 ◽  
Vol 48 (5) ◽  
pp. 1059 ◽  
Author(s):  
ME Tate ◽  
IM Delaere ◽  
GP Jones ◽  
ERT Tiekink
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Cell Dimensions ◽  
Cycas Revoluta ◽  
Unit Cell Dimensions

Characterization of cycasin , (Z)-β-D-glucopyranosyloxy-NNO-azoxymethane, from Cycas revoluta Thunb . is reported. A crystal structure analysis shows the azoxy substituents adopt a Z configuration. The colourless crystals are monoclinic, space group C2 with unit cell dimensions a 15.409(4), b 4.855(4), c 15.752(4) Ǻ, β 109.87(2)°, Z 4; the structure was refined to final R 0.033, 886 reflections with I ≥ 3.0σ(I) being used.

Crystal and Molecular Structure and Biological Activity of Z)-(Benzoyloxymethyl-NNO-azoxy)methane

1997 ◽  
Vol 50 (7) ◽  
pp. 771
Author(s):  
Max E. Tate ◽  
Ian M. Delaere ◽  
Graham P. Jones ◽  
Alan A. Seawright ◽  
Edward R. T. Tiekink
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Spinal Cord ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Liver Changes ◽  
Brain And Spinal Cord ◽  
The Brain

Characterization of (benzoyloxymethyl-NNO-azoxy)methane, from benzoylation of the cycasin aglycone methylazoxymethanol, commonly referred to as MAM, is reported. Crystal structure analysis shows that the azoxy substituents have the Z configuration. Crystals are monoclinic, space group P21/c, a 7·436(2), b 8·771(2), c 14·640(1) Å, β 90·73(1)°, Z 4; the structure was refined to final R 0·048 by using 1171 reflections with I ≥ 3·0σ(I ). Subcutaneous injection of (Z)-(benzoyloxymethyl-NNO-azoxy)methane in mice showed liver changes typical of the corresponding MAM acetate-induced hepatotoxicity. This permits correlation of hepatotoxic effects with the Z configuration of the aglycone. Histological examination of the brain and spinal cord revealed no significant changes at a dosage of 52· 6 mg/kg.

scholarly journals The crystal and molecular structure of the bis(N,N,N′,N′-tetramethylethanediamine) adduct of I(Br)InInBr2, In2Br3I•2C6H16N2, an indium–indium bonded molecule

1984 ◽  
Vol 62 (3) ◽  
pp. 601-605 ◽  
Author(s):  
Masood A. Khan ◽  
Clovis Peppe ◽  
Dennis G. Tuck
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Orthorhombic Space Group ◽  
Trigonal Bipyramidal ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Heavy Atom Method ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the title compound has been determined by the heavy atom method. The crystals are orthorhombic, space group Pbca, with unit cell dimensions a = 22.795(3) Å, b = 17.518(2) Å, c = 12.396(3) Å, Z = 8; R = 0.0409 for 1527 unique "observed" reflections. The structure is disordered, with each halogen site (X) occupied by 75% Br, 25% I. The molecule consists of two X2(tmen)In units (tmen = N,N,N′,N′-tetramethylethanediamine) with distorted trigonal bipyramidal geometry, joined by an In—In bond 2.775(2) Å in length.

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Perchlorato, Nitrato, and Acetylacetonato Complexes of Copper(I). The Crystal and Molecular Structure of Perchloratobis(tricyclohexyiphosphine)Copper(I)

1975 ◽  
Vol 53 (13) ◽  
pp. 1949-1957 ◽  
Author(s):  
Roderic J. Restivo ◽  
Abraham Costin ◽  
George Ferguson ◽  
Arthur J. Carty
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Infrared Spectra ◽  
Copper Atom ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Tertiary Phosphines ◽  
Cell Dimensions

Copper(I) perchlorate, nitrate, and acetylacetonate complexes of the types Cu(triphos)ClO4 (triphos = CH3C(CH2PPh2)3), Cu(Cy3P)2ClO4 (Cy3P = P(C6H11)3), Cu(triphos)NO3, Cu(Cy3P)2(HFac)(HFac = hexafluoroacetylacetonate), and Cu (Cy3P)2(TtFac) (TtFac = thienyltrifluoroacetylacetonate) have been synthesized by reduction of the corresponding perchlorate, nitrate, and acetylacetonates with tertiary phosphines. Infrared spectra indicate the presence of monodentate perchlorate groups in Cu(triphos)ClO4 and in Cu(Cy3P)2ClO4 and the crystal structure of the latter has been determined by a three-dimensional X-ray analysis using diffractometer data. The crystals are monoclinic, space group C2/c, with cell dimensions a = 18.159(6), b = 9.493(2), c = 22.182(3) Å, and β = 95.41(2)° and four molecules per unit cell. The structure was refined by block-diagonal least squares methods to a final R of 0.051 for 2617 reflections using anisotropic thermal parameters for the nonhydrogen atoms. The structure consists of discrete Cu(Cy3P)2ClO4 molecules with symmetry C2 separated by normal van der Waals distances. The copper atom is three-coordinate and the perchlorate anion is monodentate but disordered over two sites. Principal dimensions include: Cu—P 2.262(1) Å, Cu—O 2.220(7) Å, [Formula: see text][Formula: see text] and 99.8(2)°, and [Formula: see text]

Structure and Conformation of Photosynthetic Pigments and Related Compounds, 8 [1]Molecular Structure of an Iron(III) Chlorophyll Derivative-Chloro(phytochlorinato methyl ester)iron(III)

1995 ◽  
Vol 50 (1) ◽  
pp. 139-146 ◽  
Author(s):  
Mathias O. Senge ◽  
Karin Ruhlandt-Senge ◽  
Kevin M. Smith
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Axial Ligand ◽  
Monoclinic Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Chlorophyll Derivative ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Related Compounds

The crystal and molecular structure of chloro(methyl phytochlorinato)iron(III), 4, have been determined by single crystal X-ray crystallography to obtain further information on the conformation of metallochlorins related to chlorophyll. The compound crystallized with two independent molecules mainly distinguished by the orientation of the axial ligand. The macrocycles show significant deviations from planarity larger than those observed in corresponding magnesium(II) complexes. The overall type of distortion is similar to those found in chlorophyllides. Compound 4 crystallized in the monoclinic space group P21 (MoKa,λ = 0.71063 A) with unit cell dimensions a = 12.035(6) Å, b = 13.396(8) Å, c = 19.04(2), b = 97.51(2) Å, Z = 4, V = 3043(4) Å3. The structure was refined to an R-value of 0.075 on the basis of 3974 reflections with I > 3.0σ(Ι) (130 Κ).

Molekülstruktur des 7-Methyl-1.3.5-triaza-7-phosphaadamantan-7-ium-tetrafluoroborats. Darstellung und Charakterisierung des 7-Methyl-1.3.5-triaza-7-phospha-tricyclo[3.3.2.13,7]-undecan-7-ium-iodids/Molecular Structure of 7-Methyl-1 ,3,5-triaza-7-phosphaadamantane-7-ium-tetrafluoroborate. Preparation and Characterization of 7-Methyl-1,3,5-triaza-7-phospha-tricyclo[3,3,2,1 3,7]-undecan-7-ium-iodide

1978 ◽  
Vol 33 (11) ◽  
pp. 1257-1262 ◽  
Author(s):  
Kurt H. Jogun ◽  
John J. Stezowski ◽  
Ekkehard Fluck ◽  
Hans-Jürgen Weißgraeber
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Structure Analysis ◽  
Ir Spectrum ◽  
Parent Compound ◽  
Crystal Structure Analysis ◽  
H Nmr

Abstract 7-Methyl-1,3,5-triaza-7-phosphaadamantane-7-ium-tetrafluoroborate (2b) has been synthesized and characterized by crystal structure analysis. The crystal structure is interpreted in comparison with the parent compound 1,3,5-triaza-7-phosphaadamantane, and its 7-oxide and 7-sulfide. 7-Methyl-1,3,5-triaza-7-phospha-tricyclo[3,3,2,1 3,7]-undecan-7-ium-iodide (6) has been prepared and characterized by 31P, 13C, and 1H NMR spectroscopy and by its IR spectrum.

Crystal and molecular structure of unsubstituted and p-methoxy-substituted acetylbenzoylmethanatoboron difluoride

1997 ◽  
Vol 212 (5) ◽  
Author(s):  
Y. Dromzée ◽  
J. Kossanyi ◽  
V. Wintgens ◽  
P. Valat ◽  
H. Hartmann ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal Structures ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Crystal Structure Analysis ◽  
Full Matrix

AbstractThe crystal structures of two borines were solved by direct methods and refined by full-matrix least-squares procedure. 6-methyl-4-phenyl-1,3,2-(2The crystal structure analysis of compound

Crystal and molecular structure of two Zn–Cu compounds: Zn(NH3)2Cu(CN)3 and [Zn(en)3]6[Cu5(CN)17] · nH2O (n = 8.4) containing novel [Cu2(CN)7]5− ion

1994 ◽  
Vol 209 (5) ◽  
Author(s):  
J. Černák ◽  
J. Chomič ◽  
C. Kappenstein ◽  
M. Dunaj-Jurčo
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal And Molecular Structure ◽  
Crystal Structure Analysis ◽  
Bimetallic Complexes

AbstractThe result of crystal structure analysis of two Zn–Cu bimetallic complexes are reported. Poly-[diammine-zinc(II)-tricyanocuprate(I)], CHexakis-[tris(ethylenediamine)-zinc(II)-tricyanocuprate bis[heptacyanodicuprate)-

Darstellung und Charakterisierung der Carbosilazane Bis[tris(methylamino)silyl]methan und Bis[tris(phenylamino)silyl]methan/Preparation and Characterization of the Carbosilazanes Bis[tris(methylamino)silyl]methane and B is[tris(phenylamino)silyl]m ethane

1997 ◽  
Vol 52 (6) ◽  
pp. 707-710
Author(s):  
M. Jansen ◽  
S. Bzik
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters

Bis[tris(methylamino)silyl]methane (1) and bis[tris(phenylamino)silyl]methane (2) have been synthesized as potential precursors of porous oxygen-free solids by the reaction of bis(trichlorsilyl)methane with methylamine and with lithiated aniline, respectively. Compound 2 was characterized by a crystal structure analysis. It crystallizes in the monoclinic space group P 21 ,/c with the unit cell parameters a= 10.963(2),b= 17.801(2), c = 17.557(2) Å, β = 97.96(2)° and Z = 4 (R1, = 4,4 %, wR2 = 9,8 %, 5950 independent reflections).

scholarly journals Synthesis, Crystal Structure, and Comparative Study of a New Organic Material 3,4-Diaminobenzophenone Semihydrate

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Tarek Ben Rhaiem ◽  
Habib Boughzala ◽  
Ahmed Driss
Keyword(s):  
Crystal Structure ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Structural Components ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Ft Ir ◽  
The Fourier Transform ◽  
Unit Cell Dimensions ◽  
Ft Ir Spectroscopy

The new organic 3,4-diaminobenzophenone semihydrate (34ABPH) is grown by slow evaporation method. The compound crystallizes in the monoclinic space group: C2. The unit cell dimensions are (8) Å, (2) Å, (10) Å, andβ = 99.40 (2)° with . The crystal structure analysis reveals that the C13H12N2O molecules chains are organized into a double ribbon in the (b,c) plane. The structural components interact by N–H⋯O and O–H⋯O hydrogen bonds, building up a two-dimensional network. The presence of functional groups in the molecular structure is confirmed by the Fourier transform infrared (FT-IR) spectroscopy. Thermogravimetric analysis (TGA) confirms the presence of the water molecule.

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