X-ray powder diffraction data and crystal data of polymorphic form 2 of carnidazole

2006 ◽  
Vol 21 (1) ◽  
pp. 56-58 ◽  
Author(s):  
Hector Novoa de Armas ◽  
Oswald M. Peeters ◽  
Norbert Blaton ◽  
Dirk J. A. De Ridder ◽  
Henk Schenk
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Polymorphic Form ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Synchrotron Powder Diffraction ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

The indexed powder diffraction pattern and related crystallographic data for polymorphic form 2 of carnidazole (C8H12N4O3S) are reported, as a first step in the structure determination by powder diffraction methods. The unit cell dimensions were determined from high resolution synchrotron powder diffraction data (λ=0.079 998 0 nm) and evaluated by indexing programs. The monoclinic cell found for this polymorph is a=1.3908(2) nm, b=08094(2) nm, c=1.0645(2) nm, β=110.82(2)°,V=1.12015(27)nm3, Z=4, Dx=1.445 Mg∕m3.

Crystal data and X-ray powder diffraction data of 2,4-diiodo-4-nitrophenol (disophenol), C6H3I2NO3. More precise X-ray powder diffraction data of p-nitrophenol, C6H5NO3

1996 ◽  
Vol 11 (4) ◽  
pp. 301-304
Author(s):  
Héctor Novoa de Armas ◽  
Rolando González Hernández ◽  
José Antonio Henao Martínez ◽  
Ramón Poméz Hernández
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

p-nitrophenol, C6H5NO3, and disophenol, C6H3I2NO3, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for p-nitrophenol was a=6.159(2) Å, b=8.890(2) Å, c=11.770(2) Å, β=103.04(2)°, Z=4, space group P21 or P2l/m, Dx=1.469 Mg/m3. The monoclinic cell found for disophenol has the dimensions a=8.886(1) Å, b=14.088(2) Å, c=8.521(1) Å, β=91.11(1)°, Z=4, space group P2, P2, Pm or P2/m, Dx=2.438 Mg/m3.

Powder Diffraction Data of Potassium Calcium Phosphate KCa PO4.H2O

1987 ◽  
Vol 2 (4) ◽  
pp. 253-254 ◽  
Author(s):  
D. Louër ◽  
F. Deneuve ◽  
N. Ouillon
Keyword(s):  
Calcium Phosphate ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractPotassium calcium phosphate, KCa PO4.H2O, has been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined from diffractometer data obtained with strictly monochromatized Cu Kα1 radiation, by indexing programs. A C-centered monoclinic cell was found: a =7.5834(9) Å, b = 8.1568(11) Å, c = 7.6541(8) Å, β= 102.975 (9)°.

Crystal data and X-ray powder diffraction data of lobenzarit acid and lobenzarit disodium

1996 ◽  
Vol 11 (2) ◽  
pp. 72-74 ◽  
Author(s):  
H. Novoa de Armas ◽  
R. Pellón Comdom ◽  
R. Pomés Hernández ◽  
J. Duque Rodríguez
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Lobenzarit acid, C14H10ClNO4, and lobenzarit disodium (CCA), C14H8ClNNa2O4, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using strictly monochromatized CuKα1 radiation, and evaluated by indexing programs. The triclinic cell found for lobenzarit acid was a=16.580(1) Å, b=16.389(1) Å, c=4.9023(3) Å, α=71.674(6)°, β=92.609(6)°, γ=97.127(6)°, Z=4, Dx=1.544 Mg/m3. The triclinic cell found for CCA was a=18.041(5) Å, b=11.461(4) Å, c=5.936(2) Å, α=66.80(3)°, β=103.61(3)°, γ=113.13(3)°, Z=4, Dx=2.159 Mg/m3.

X-Ray Powder Diffraction Data of a New Compound Na2Ca4Mg2Si4O15

1992 ◽  
Vol 7 (1) ◽  
pp. 36-37 ◽  
Author(s):  
Robert Hausner ◽  
Michael Suppaner
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Magnesium Silicate ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Sodium Calcium ◽  
Cell Dimensions ◽  
Calcium Magnesium ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractSodium Calcium Magnesium Silicate, Na2Ca4Mg2Si4O15, has been investigated by means of X-ray powder diffraction. Data were obtained by a conventional diffractometer. Unit cell dimensions were determined by an indexing program. A monoclinic cell was found, a = 17.884(2) Å, b = 5.3573(8) Å, c = 7.1796(8) Å, β = 112.71 (1)°; V=634.56 A3.

Powder Diffraction Data of Neodymium Hydroxynitrate Nd(OH)2(NO3).H2O

1986 ◽  
Vol 1 (3) ◽  
pp. 263-264 ◽  
Author(s):  
D. Louër ◽  
F. Deneuve ◽  
C. Herviou ◽  
C. Gourlaouen
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe neodymium hydroxynitrate, Nd(OH)2(NO3).H2O, (PDF #37-1841) has been investigated by means of X-ray powder diffraction data. The unit cell dimensions were determined from diffractometer methods, using strictly monochromatized CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found was a = 19.381(4)Å, b = 3.884(1)Å, c = 6.291(1)Å, β = 96.43(2)°.

ZrSiO4 mit monokliner Baddeleyitstruktur?.

1976 ◽  
Vol 31 (9) ◽  
pp. 1175-1178 ◽  
Author(s):  
Kurt Walenta
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Limits Of Error ◽  
Zircon Particles

A new compound having the same composition as zircon, ZrSiO4, but differing from it in its structure has been obtained by heating zircon particles to a temperature of 5000 to 10000°K. According to X-ray powder diffraction data the structure and within limits of error also the unit-cell dimensions are identical with that of monoclinic baddeleyite, ZrO2. This suggests that the baddeleyite lattice can not only accommodate 10 molecular % SiO2 as is already known for some time, but substantially more, unless it is assumed that some kind of submicroscopic exsolution of amorphous SiO2 has taken place.

Powder diffraction data and Rietveid refinement of the compound Ba2Cl2Cu3O4

1995 ◽  
Vol 10 (4) ◽  
pp. 282-287 ◽  
Author(s):  
W. Pitschke ◽  
G. Krabbes ◽  
N. Mattern
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Indexed X-ray powder diffraction data are reported for the semiconducting compound Ba2Cl2Cu3O4. The structure was refined by the Rietveid technique on the basis of the space group I4/mmm. Refined unit cell dimensions are a = 5.5156(1) Å, c = 13.8221(3) Å, V = 420.49 Å3Dx = 4.74 g/cm3, F30 = 129(0.0075,30), M20 = 121, Rp = 6.58, Rwp = 8.66, and RB = 4.49.

Powder diffraction data and Rietveld refinement of metastable t-ZrO2 at low temperature

1997 ◽  
Vol 12 (2) ◽  
pp. 96-98 ◽  
Author(s):  
J. Málek ◽  
L. Beneš ◽  
T. Mitsuhashi
Keyword(s):  
Low Temperature ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Indexed X-ray powder diffraction data are reported for the low temperature tetragonal ZrO2 obtained by crystallization of zirconia gel. The structure was refined by the Rietveld technique on the basis of space group P42/nmc. Refined unit cell dimensions are a = 3.5984(5) Å, c = 5.152(1) Å, V = 66.71 Å3, Dx=6.135 g/cm3, F18=62 (0.012, 24), RP=8.99, Rwp=11.48, RB=3.13.

Crystal data and X-ray powder diffraction data of two derivatives of 4-chloro-2,2′-iminodibenzoic acid: diethyl 4-chloro-2,2′-iminodibenzoate, C18H18ClNO4, and dimethyl 4-chloro-2,2′-iminodibenzoate, C16H14ClNO4

1998 ◽  
Vol 13 (3) ◽  
pp. 175-177
Author(s):  
Héctor Novoa de Armas ◽  
Armando Paneque Quevedo ◽  
José Antonio Henao Martínez
Keyword(s):  
Powder Diffraction ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
The One ◽  
Unit Cell Dimensions ◽  
Derivatives Of ◽  
Monoclinic Cell ◽  
Good Agreement

Two derivatives of 4-chloro-2,2′-iminodibenzoic acid: diethyl 4-chloro-2,2′-iminodibenzoate, C18H18ClNO4, and dimethyl 4-chloro-2,2′-iminodibenzoate C16H14ClNO4, have been investigated by means of X-ray powder diffraction. The unit cell dimensions were determined from diffractometer methods, using monochromatic CuKα1 radiation, and evaluated by indexing programs. The monoclinic cell found for diethyl 4-chloro-2,2′-iminodibenzoate was a=21.332(3) Å, b=7.889(2) Å, c=10.156(2) Å, β=91.43(1)°, Z=4, space group P2 (No. 3), Pm (No. 6), or P2/m (No. 10), Dx=1.351 mg/m3. The cell found for this compound is in good agreement with the one obtained from single crystal X-ray diffractometry. The monoclinic cell found for dimethyl 4-chloro-2,2′-iminodibenzoate has the dimensions a=15.962(2) Å, b=5.151(2) Å, c=12.590(2) Å, β=98.35(1)°. Z=4, space group P2 (No. 3), Pm (No. 6), or P2/m (No. 10), Dx=2.073 mg/m3.

Crystal Data for Nickel Cimetidine Chloride: Ni (CM)2 CL2·2H2O

1989 ◽  
Vol 4 (4) ◽  
pp. 225-226
Author(s):  
J.M. Amigó ◽  
L.E. Ochando ◽  
M.M. Reventós ◽  
A. Sancho ◽  
L. Soto-Tuero
Keyword(s):  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractNickel Cimetidine Chloride, Ni(C10H16SN6)2Cl2·2H2O has been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs, from diffractometer data obtained with copper radiation. A primitive monoclinic cell was found: a = 11.836(3)Å, b = 13.322(5)Å, c = 10.487(2)Å, β = 113.08 (2)°, Z = 2, Dx = 1.462 g/cm3, M.W. = 670.32. These data are consistent with values reported in the literature for other cimetidine complexes.

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