X-Ray Powder Structural Analysis of the Complexes of Benzo-15-Crown-5 with NaClO4 and KI: [C14H20O5]NaClO4 and [C14H20O5]2KI

1987 ◽  
Vol 2 (2) ◽  
pp. 99-101
Author(s):  
G. Shoham ◽  
N. Cohen ◽  
S. Schneider ◽  
I. Mayer
Keyword(s):  
Crown Ether ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Crystal System ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractX-ray powder diffraction analysis of the complex of Benzo-15-Crown-5 (B-15-Crown-5) with NaClO4 displays a monoclinic crystal system with refined unit cell parameters of a = 8.829(3)Å, b = 8.327(3)Å, c = 24.21(2)Å, ß = 99.18(1)Å, V = 1757.1(1)Å3, Z = 4, and Dx = 1.48 g/cm3. The space group, P21/c, and the unit cell dimensions, determined by a single crystal diffraction analysis, agree well with those of the powder analysis. X-ray powder diffraction analysis of the complex of B-15-Crown-5 with KI displays a tetragonal crystal system with refined unit cell dimensions of a = b = 17.869(3)Å, c = 9.761(3)Å, V = 3116.7(1)Å3, Z = 4, and Dx = 1.50 g/cm3. The space group, P4/n, and the unit cell dimensions, determined by a single crystal diffraction analysis, agree well with those of die powder diffraction analysis. The powder and single crystal analyses of the two complexes indicate that in the solid phase, B-15-Crown-5 forms a 1:1 complex with Na+ and a 2:1 complex with K+. The variation in the complexation mode of B-15-Crown-5 with different cations, partially explains the lack of selectivity of this crown ether towards Na+, while from considerations of the cavity size alone this crown ether was expected to be considerably selective towards this cation.

X-ray powder diffraction studies of multipyrazole series compounds

2001 ◽  
Vol 16 (4) ◽  
pp. 231-235
Author(s):  
Yu PuLan ◽  
Ding Shuang ◽  
Qiao Yuan Yuan ◽  
Yao XinKan ◽  
Zhang HaiYue ◽  
...  
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

X-ray powder diffraction data are reported for a series of multipyrazole compounds in this paper. This work shows that the unit cell dimensions determined by single crystal agree well with those of powder diffraction analysis.

Crystal data of Nitrofurantoin C8H6N4O5

1993 ◽  
Vol 8 (2) ◽  
pp. 107-108 ◽  
Author(s):  
G. Bandoli ◽  
A. Ongaro ◽  
F. Lotto ◽  
M. Rossi
Keyword(s):  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
Unit Cell Parameters ◽  
Powder Diffraction File ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

X-ray powder diffraction of Nitrofurantoin C8H6N4O5 reveals that the compound crystallizes in a monoclinic unit cell with the powder data unit cell parameters of a = 7.852(2), b= 6.497(1), c = 18.927(5) Å, β=93.15(2)°, V=964.1(2) Å3. The unit cell dimensions determined by single crystal agree very well with those of powder diffraction analysis. A comparison with the Powder Diffraction File (PDF) 34-1603 indicates that the present data provide a more precise match to the unit cell, include additional weak reflections, along with the indexing of the powder pattern.

Crystal Data of Diltiazem Hydrochloride C22H26N2O4S·HCl

1990 ◽  
Vol 5 (3) ◽  
pp. 160-161
Author(s):  
I. Mayer ◽  
S. Cohen ◽  
L. Tsamir
Keyword(s):  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Diltiazem Hydrochloride ◽  
Orthorhombic Unit Cell ◽  
Single Crystal Diffraction ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Crystallization Conditions ◽  
Unit Cell Dimensions

AbstractX-ray powder diffraction analysis of Diltiazem Hydrochloride C22H26N2O4S·HCl reveals that the compound crystallizes in an orthorhombic unit cell with the powder data unit cell parameters of a=9.08(1), b=42.09(4), c=6.03(1) Å, V=2305 Å3. The unit cell dimensions determined by single crystal diffraction analysis agree well with those of powder diffraction analysis. Samples prepared under different crystallization conditions yielded the same powder patterns.

Synthesis and Characterization of La2CaCu3O7 Compound

1998 ◽  
Vol 12 (04) ◽  
pp. 143-146
Author(s):  
K. Jeyabalan ◽  
L. K. Kaliyaperumal ◽  
A. Sekar ◽  
S. Arumugam ◽  
J. Srinivas
Keyword(s):  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Synthesis And Characterization ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Crystal System ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Synthesis and characterization of the compound La 2 CaCu 3 O 7 has been reported here. The X-ray powder diffraction analysis reveals that the compound crystallizes in an orthorhombic crystal system with unit cell dimensions of a=5.496(6) Å, b=5.685(5) Å and c=24.356(11) Å.

Improved Crystallographic Data for AlNbO4

1991 ◽  
Vol 6 (1) ◽  
pp. 48-49 ◽  
Author(s):  
C. J. Rawn ◽  
R. S. Roth ◽  
H. F. McMurdie
Keyword(s):  
Single Crystal ◽  
Least Squares ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Crystallographic Data ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Monoclinic Cell

AbstractThe compound AlNbO4 has been studied by single crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a Δ2θ° of no more than 0.03°. A monoclinic cell was found with space group C2/m, a = 12.1558(5)Å, b = 3.7345(2)Å, c = 6.4886(3)Å, and β = 107.613(4)°.

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.

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 X-ray diffraction data for Ba4ZnTi11O27 and Ba2ZnTi5O13

1994 ◽  
Vol 9 (1) ◽  
pp. 56-62 ◽  
Author(s):  
C. G. Lindsay ◽  
C. J. Rawn ◽  
R. S. Roth
Keyword(s):  
Single Crystal ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Powder Samples ◽  
Unit Cell Dimensions

Single crystals and powder samples of Ba4ZnTi11O27 and Ba2ZnTi5O13 have been synthesized and studied using single-crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated from a least-squares refinement with a final maximum Δ2θ of 0.05°. Both phases were found to have monoclinic cells, space group C2/m. The refined lattice parameters for the Ba4ZnTi11O27 compound are a= 19.8687(8) Å, b=11.4674(5) Å, c=9.9184(4) Å, β= 109.223(4)°, and Z=4. The refined lattice parameters for the Ba2ZnTi5O13 compound are a= 15.2822(7) Å, b=3.8977(1) Å, c=9.1398(3) Å, β=98.769(4)°, and Z=2.

scholarly journals Synthesis And Structural Characterization Of 1-Butyl-2,3-Dimethylimidazolium Bromide And Iodide

2007 ◽  
Vol 62 (6) ◽  
pp. 868-870 ◽  
Author(s):  
Johanna Kutuniva ◽  
Raija Oilunkaniemi ◽  
Risto S. Laitinen ◽  
Janne Asikkala ◽  
Johanna Kärkkäinen ◽  
...  
Keyword(s):  
Unit Cell ◽  
Monoclinic Crystal System ◽  
Monoclinic Crystal ◽  
Space Group ◽  
X Ray ◽  
Crystal System ◽  
H Nmr ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

1-Butyl-2,3-dimethylimidazolium bromide {(bdmim)Br} (1) and iodide {(bdmim)I} (2) were prepared conveniently by the reaction of 1,2-dimethylimidazole and the corresponding 1-halobutane. The compounds were characterized by 1H and 13C{1H} NMR spectroscopy as well as by X-ray single crystal crystallography. 1 crystallizes in the monoclinic crystal system, space group P21/n, with Z = 4, and unit cell dimensions a = 8.588(2), b = 11.789(1), c = 10.737(2) Å, β = 91.62(3)°. Compound 2 crystallizes in the monoclinic crystal system, space group P21/c, with Z = 8, and unit cell dimensions a = 10.821(2), b = 14.221(3), c = 15.079(2) Å , β = 90.01(3)°. The lattices of the salts are built up of 1-butyl-2,3- dimethylimidazolium cations and halide anions. The cations of 1 form a double layer with the imidazolium rings stacked together due to π interactions. The Br− anions lie approximately in the plane of the imidazolium ring, and the closest interionic Br···H contacts span a range of 2.733(1) - 2.903(1) Å. Compound 2 shows no π stacking interactions. The closest interionic I···H contacts are 2.914(1) - 3.196(1) Å

Crystal Data for Complexes of Co(II) and Ni(II) Perchlorates with Mepirizole

1992 ◽  
Vol 7 (3) ◽  
pp. 166-168
Author(s):  
J.M. Amigó ◽  
L.E. Ochando ◽  
M.M. Reventós ◽  
J. García-Lozano ◽  
L. Soto-Tuero
Keyword(s):  
Powder Diffraction ◽  
Unit Cell ◽  
Crystal Data ◽  
Calculated Density ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

AbstractMetal mepirizole perchlorates, M(C11H14N4O2)3 (C104)2 where M = Co(II) and Ni(II) have been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs from diffractometer data. Refined cell parameters (monoclinic with a C-centered cell), calculated density and Z values are presented.

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