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.

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.

scholarly journals Crystal and Molecular Structure of 7-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4[3H]one

2012 ◽  
Vol 9 (2) ◽  
pp. 525-531
Author(s):  
Mohamed Ziaulla ◽  
Afshan Banu ◽  
Shridhar I. Panchamukhi ◽  
Imtiyaz Ahmed M. Khazi ◽  
Noor Shahina Begum
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Direct Method ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Π Interactions ◽  
R Factor

X-ray characterization of 7-methyl-5,6,7,8-tetrahydro[1]benzothieno [2,3-d]pyrimidin-4[3H]one is described. The compound crystallizes in the monoclinic space group P21/c with a=7.0013(2)Å, b=8.3116(3)Å, c=18.374(6)Å, β=91.746(2)°, V=1068.76(6)Å3, z=4. The structure was solved using the direct method and refined to reliability R-factor of 0.0639 using 3180 independent reflections The crystal structure is further stabilized by intermolecular C-H...N, N-H...N C-H...O, N-H...O, and π-π interactions.

Crystal Structure of (NH4)2[Mo3S(S2)6] Containing the Novel Isolated Cluster [MO3S13]2-

1979 ◽  
Vol 34 (3) ◽  
pp. 434-436 ◽  
Author(s):  
A. Müller ◽  
S. Pohl ◽  
M. Dartmann ◽  
J. P. Cohen ◽  
J. M. Bennett ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aqueous Solutions ◽  
Single Crystal ◽  
Ammonium Salt ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Mean Values ◽  
X Ray

Abstract The novel tri-nuclear metal-sulfur cluster [Mo3S(S2)6]2- can be obtained as its ammonium salt by the reaction of a Moiv containing aqueous solutions with polysulfide. Its crystal and molecular structure has been determined by a single crystal X-ray study. The crystals are monoclinic (space group Cm, with a = 11.577(6) Å, b = 16.448(7) Å, c = 5.716(2) Å, β = 117.30(3)°, V = 967.2 Å3 , Z = 2, dexptl. = 2.54(2) g/cm3 , dcal = 2.54 g/cm3). The structure consists of isolated [Mo3S(S2)6]2- units, with three Mo atoms at the vertices of a triangle. There are bridging as well as terminal S22--ligands lying above and below the Mo3-plane (bond distances: Mo-Mo = 2.722 Å, Mo-S(terminal) = 2.435, Mo-S(bridging) = 2.452, Mo3-S = 2.353(4) Å and S-S = 2.04 Å (mean values)).

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

scholarly journals Einkristallzüchtung und Röntgenstrukturanalyse des polymeren 1:1-Komplexes zwischen CuCl2 und Pyridazin / Crystal Growth in Gels and X-Ray Characterization of the Polymeric 1:1-Complex of CuCl2 with Pyridazine

1990 ◽  
Vol 45 (2) ◽  
pp. 199-202 ◽  
Author(s):  
Th. Fetzer ◽  
A. Lentz ◽  
T. Debaerdemaeker ◽  
O. Abou-El-Wafa
Keyword(s):  
Crystal Structure ◽  
Thermal Decomposition ◽  
Crystal Growth ◽  
Single Crystals ◽  
Crystal Structure Analysis ◽  
Van Der Waals Interactions ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
X Ray

Single crystals of Cu(pdz)Cl2 were grown by using gel methods with tetramethoxysilane as the gel-forming reagent. Thermal decomposition is interpreted. Crystal data for the complex : monoclinic, space group C2/c with a = 938.3(3) pm, b = 1242.9(3) pm, c = 675.7(4) pm, β = 128.48(5)°. A crystal structure analysis reveals CuCl2 molecules connected by pyridazine in the form of zigzag-chains. Between these chains there are only Van-der-Waals-Interactions.

Weak interactions observed in ruthenium and iridium complexes containing hydride, amine, and bulky phospyhine ligands

1997 ◽  
Vol 75 (5) ◽  
pp. 475-482 ◽  
Author(s):  
Wei Xu ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Weak Interactions ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Iridium Complexes ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Van Der Waals Contacts

New amineruthenium and amineiridium hydride derivatives have been synthesized and characterized with the objective of observing intramolecular [Formula: see text] or [Formula: see text] interactions. These include RuHCl(CO)(L)(PPri3)2 (1a, L = NH2NH2; 1b, L = NH3) and IrCl2(L)(H)(PCy3)2 (2a, L = SC(NH2)2; 2b, L = NH3; 2c, L = NH2NH2; 2d, L = NH2(CH2)3NH2; 2e, L = NH2OH). Instead, weak [Formula: see text] van der Waals contacts have been detected in the solid state by X-ray analysis and in solution by NMR T1 measurements and nOe techniques. Both X-ray crystal structure analysis and minimum T1 measurements indicate that the [Formula: see text] distances in the [Formula: see text] interactions are ca•2.0–2.2 Å. The weak interactions might influence the course of deuteration of these complexes under D2 gas. The crystal and molecular structure of IrCl2(NH3)(H)(PCy3)22a has been determined by X-ray diffraction at 173 K: monoclinic, space group P21/n, a = 14.859(2) Å, b = 18.579(3) Å, c = 18.548(3) Å, β = 97.29(1)°, V = 5079.1(13) Å3, Z = 4, full-matrix least-squares refinement on F2 for 10 953 independent reflections; R[F2 > 4σ(F2)] = 0.0283, wR(F2) = 0.0704. Keywords: ruthenium, iridium, hydride, dihydrogen, complexes, hydrogen bond, NMR, X-ray.

Synthesis and Crystal and Molecular Structure of trans-Dichloro(ethanedial dioximato(1—)-N,N')(ethanedial dioxime-N,N')rhodium(III)

1989 ◽  
Vol 44 (1) ◽  
pp. 5-8
Author(s):  
Michel Mégnamisi-Bélombé
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Crystallographic Direction ◽  
Monoclinic Space Group ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cl Atoms

Abstract trans-Dichloro(ethanedial-dioximato)(ethanediaI-dioxime)rhodium (III), RhCl2(GH)(GH2), has been synthesized and its structure determined by single crystal X-ray diffraction at room temperature. C4H7Cl2N4O4Rh, Mr = 348.94. monoclinic space group P21/ɑ; a = 10.543(3), b = 8.363(2), c = 11.512(3)Å ; β = 92.79(2)°; V = 1024Å3; Z = 4; Dc = 2.26 Mg m-3. Final Rw = 0.075 for 2035 reflections and 139 parameters. The coordination geometry around Rh is a dis­torted (4+2) octahedron, with four chelating N atoms lying in the equatorial plane and the two Cl atoms in the apical positions. The H atoms of the oxime groups are involved in relatively weak intramolecular O-H-O bridgings, as well as in very strong intermolecular bridgings which extend throughout the crystal structure and propagate nearly parallel to the [101] crystallographic direction.

Crystal and molecular structure of 9-(2,4,6-trinitroanilino)-carbazole, C18H11N5O6

1987 ◽  
Vol 65 (6) ◽  
pp. 1322-1326 ◽  
Author(s):  
Hong Wang ◽  
Richard J. Barton ◽  
Beverly E. Robertson ◽  
John A. Weil ◽  
Keith C. Brown
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Linear Chain ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Adjacent Molecule ◽  
Neighboring Molecule ◽  
Infinite Linear

The crystal structure of 9-(2,4,6-trinitroanilino)-carbazole, C18H11N5O6, has been determined by X-ray diffraction. Crystals are monoclinic, space group P21/c, a = 14.686(11), b = 24.601(12), c = 10.047(5) Å, β = 107.76(5)° at 292 K, with Z = 8. The two nitrogen atoms in the central fragment have a staggered conformation with an N—N distance of 1.381(4) Å, which is considerably shorter than N—N distances in related N-picrylhydrazine molecules. The picryl moiety has a geometry similar to that of related N-picrylhydrazine molecules. The title compound contains an [Formula: see text] intramolecular bond to one of the ortho nitro groups on the picryl ring. The carbazole plane of one molecule and the picryl plane of a neighboring molecule overlap to form an infinite linear chain of the form … DhA:DhA … where D represents the carbazole donor, h the linear chain linkage within the molecule, and A represents the picryl acceptor of one molecule. The two interplanar distances between D of one molecule and A of an adjacent molecule are 3.28(13) and 3.34(13) Å, indicating a strong π-molecular interaction.

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]

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.

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