X-ray powder diffraction data and thermal expansion of N(CH3)4Br and N(CH3)4I

1996 ◽  
Vol 11 (3) ◽  
pp. 246-249 ◽  
Author(s):  
Alex Xenopoulos ◽  
Martina Ralle ◽  
Anton Habenschuss ◽  
Bernhard Wunderlich
Keyword(s):  
Thermal Expansion ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Chem Phys ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Tetramethylammonium Bromide ◽  
Diffraction Patterns

The X-ray powder diffraction patterns for tetramethylammonium bromide and iodide have been measured from near room temperature up to decomposition/sublimation. The unit cell parameters were refined and the coefficients of thermal expansion calculated. Unlike N(CH3)4Cl [M. Stammler, J. Inorg. Nucl. Chem. 29, 2203–2221 (1967)], N(CH3)4Br (1Br) and N(CH3)4I (1I) undergo no solid–solid transitions before decomposition/sublimation as was observed earlier by thermal analysis [S. S. Chang and E. F. Westrum, J. Chem. Phys. 36(9), 2420–2423 (1962); Coulter etal., J. Am. Chem. Soc. 62, 2845–2851 (1940); Xenopoulos etal., Mol. Cryst. Liq. Cryst. 214, 63–79 (1992)].

X-ray powder diffraction data of anilinium trimolybdate tetrahydrate and anilinium trimolybdate dihydrate

1999 ◽  
Vol 14 (4) ◽  
pp. 280-283 ◽  
Author(s):  
A. Rafalska-Łasocha ◽  
W. Łasocha ◽  
M. Michalec
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns

The X-ray powder diffraction patterns of anilinium trimolybdate tetrahydrate, (C6H5NH3)2Mo3O10·4H2O, and anilinium trimolybdate dihyhydrate, (C6H5NH3)2Mo3O10·2H2O, have been measured in room temperature. The unit cell parameters were refined to a=11.0670(7) Å, b=7.6116(8) Å, c=25.554(3) Å, space group Pnma(62) and a=17.560(2) Å, b=7.5621(6) Å, c=16.284(2) Å, β=108.54(1)°, space group P21(4) or P21/m(11) for orthorhombic anilinium trimolybdate tetrahydrate and monoclinic anilinium trimolybdate dihydrate, respectively.

X-ray powder diffraction data of potassium μ-Oxo-bis(oxodiperoxovanadate)(4-) hydrate K4[O{VO(O2)2}2]H2O

2003 ◽  
Vol 18 (3) ◽  
pp. 248-251 ◽  
Author(s):  
Maciej Grzywa ◽  
A. Rafalska-Łasocha ◽  
Wielsaw Łasocha
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
Rietveld Method ◽  
Structure Refinement ◽  
Analytical Investigation ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns

The potassium μ-Oxo-bis(oxodiperoxovanadate)(4-) hydrate K4[O{VO(O2)2}2]*H2O was prepared, and its X-ray powder diffraction patterns have been recorded at room temperature. The unit cell parameters were refined to a=6.7097(1) Å, b=9.9574(1) Å, c=15.8250(3) Å, β=93.69(6)°, space group P21/c (14). The sample of K4V2O11*H2O was characterized by IR spectroscopy and analytical investigation. Results of crystal structure refinement by Rietveld method are presented; final RF and Rwp are 13 and 16%, respectively.

X-ray powder diffraction data of lapatinib ditosylate monohydrate

2009 ◽  
Vol 24 (3) ◽  
pp. 250-253 ◽  
Author(s):  
Peter Varlashkin
Keyword(s):  
Breast Cancer ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Structure

The room temperature powder pattern of lapatinib ditosylate monohydrate (active ingredient in Tykerb used to treat refractory breast cancer) was indexed and the cell from the single crystal X-ray diffraction structure was refined using the experimental capillary data. Unit-cell parameters for the orthorhombic compound with space group Pbca refined from powder diffraction data are a=9.6850±0.0009 Å, b=29.364±0.003 Å, and c=30.733±0.003 Å, α=β=γ=90°, z=8, V=8740.1 Å3. Values of 2θ, d, I, and Miller indices are reported.

X-ray powder diffraction studies of aniline derivatives

2003 ◽  
Vol 18 (3) ◽  
pp. 266-268
Author(s):  
A. Rafalska-Łasocha ◽  
W. Łasocha
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Aniline Derivatives ◽  
Diffraction Patterns

The X-ray powder diffraction patterns of two liquid aniline derivatives o-chloroaniline, and m-chloroaniline were measured at 250 °K in a low temperature chamber. Both compounds crystallize in the orthorhombic system with the unit cell parameters refined to a=1.8391(3) nm, b=1.0357(2) nm, c=0.6092(1) nm, space group Pmmm(47) and a=0.450 39(9) nm, b=1.9820(4) nm, c=1.2699(4) nm, space group Pcca(54) for o-chloroaniline and m-chloroaniline, respectively. Investigated at room temperature, 2,6-dichloroaniline crystallizes in the monoclinic system, space group P21/c(14), a=1.1329(2) nm, b=0.41093(8) nm, c=1.5445(3) nm, α=γ=90° β=99.96(2)°.

X-ray powder diffraction data for five lanthanoid chromates [Ln2(CrO4)3(H2O)5]·2H2O (Ln=La,Pr,Nd,Sm,Eu)

1994 ◽  
Vol 9 (2) ◽  
pp. 98-104
Author(s):  
Jaakko Leppä-aho ◽  
Jussi Valkonen
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns

X-ray powder diffraction data are reported for a series of isomorphous compounds of [Ln2(CrO4)3(H2O)5]·2H2O, where Ln=La, Pr, Nd, Sm, or Eu. The compounds crystallize in monoclinic space group P21/c (No: 14) with Z=4. Refined unit cell parameters and indexed powder diffraction patterns are given.

X-ray powder diffraction data for two new N-substituted 3,4-dihydrospiro-2(1H) quinolines

1999 ◽  
Vol 14 (4) ◽  
pp. 249-252 ◽  
Author(s):  
J. A. Henao ◽  
A. Palma ◽  
V. V. Kouznetsov ◽  
J. M. Delgado
Keyword(s):  
Key Words ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns

The X-ray powder diffraction patterns for two N-substituted tetrahydroquinolines are reported. N-(α-Chloroacetyl)-6-methoxy-3,4-dihydro-4-methylspiro[cyclohexane-1′,2(1H)quinoline], C18H24ClNO2, and N-(α-chloroacetyl)-6-chloro-3,4-dihydro-4-methylspiro[cyclohexane-1′,2(1H)-quinoline], C17H21Cl2NO are monoclinic, with refined unit cell parameters a=1.4471(3), b=0.9600(4), c=1.1948(3) nm, β=93.21(2)°, V=1.6573(6) nm3, Z=4, Dx=1.29 gcm−3, and a=1.4487(3), b=0.9878(2), c=1.1390(2) nm, β=91.66(2)°, V=1.6294(4) nm3, Z=4, and Dx=1.32 gcm−3, respectively, with space group P21/n (No. 14).Key words: powder diffraction data, spirotetrahydroquinolines.

X-ray powder diffraction data for the identification of boracite-group minerals

1995 ◽  
Vol 10 (4) ◽  
pp. 250-260 ◽  
Author(s):  
Peter C. Burns
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Poor Agreement ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
Good Agreement

An X-ray powder-diffraction pattern for boracite, Mg3B7O13Cl, is reported. Boracite is orthorhombic, space group Pca21, and the refined unit-cell parameters are a=8.557(6), b=8.553(8), c= 12.09(1) Å. X-ray powder-diffraction patterns have been calculated for the boracite-group minerals boracite, ericaite, trembathite and congolite. The calculated pattern for boracite is in good agreement with the observed pattern reported here, but the PDF entry (5-710) for boracite is missing several intense peaks. The calculated pattern for ericaite is in poor agreement with the PDF entry (29-697) for ericaite, and PDF 29-697 is for congolite, not ericaite. The calculated powder patterns presented here for these four minerals will facilitate their identification via X-ray powder diffraction. © 1995 International Centre for Diffraction Data.

X-ray powder diffraction data for nicotine 3,5-dihydroxybenzoate dihydrate, C10H15N2⋅C7H5O4⋅2H2O

2021 ◽  
pp. 1-4
Author(s):  
Ji Yang ◽  
Zhi Hua Liu ◽  
Rui Zhi Zhu ◽  
Neng Jun Xiang ◽  
Shi Yun Tang ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Nicotine 3,5-dihydroxybenzoate dihydrate is a nicotine salt and can be used as compositions in tobacco products. X-ray powder diffraction data, unit-cell parameters, and space group for nicotine 3,5-dihydroxybenzoate, C10H15N2⋅C7H5O4⋅2H2O, are reported [a = 8.424(1) Å, b = 13.179(8) Å, c = 8.591(1) Å, α = 90°, β = 102.073(8)°, γ = 90°, unit-cell volume V = 932.765(3) Å3, Z = 2, ρcal = 1.256 g⋅cm−3, and space group P21] at room temperature. All measured lines were indexed and are consistent with the P21 space group.

Improved powder diffraction data for two cholesterol derivatives

2003 ◽  
Vol 18 (4) ◽  
pp. 306-308 ◽  
Author(s):  
Manuela Ramos Silva ◽  
Ana Matos Beja ◽  
José António Paixa˜o ◽  
Abílio J. F. N. Sobral ◽  
Ana S. M. Ressurreição ◽  
...  
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
Atomic Parameters

New X-ray powder diffraction patterns for two cholesterol derivatives, cholest-4-ene-3,6-dione and cholest-4-en-3-one are reported in the range 0<2θ<115°. Both compounds crystallize in similar monoclinic cells in space-group P21, with unit cell parameters a=10.481(3) Å, b=8.0354(8) Å, c=14.677(3) Å, β=105.265(7)°, V=1192.5(4) Å3 for C27H42O2, and a=10.703(2) Å, b=7.8750(6) Å, c=14.660(3) Å, β=105.205(14)°, V=1192.4(4) Å3 for C27H44O. The patterns, confirmed by single-crystal studies, do not match the PDF 17-1144 and PDF 10-649. A fitting of the overall parameters was performed with Fullprof using the atomic parameters obtained from single-crystal studies.

New X-ray powder diffraction data for thallium pentaborates Tl[B5O6(OH)4]·2H2O and TlB5O8

1999 ◽  
Vol 14 (3) ◽  
pp. 237-239 ◽  
Author(s):  
M. Touboul ◽  
N. Penin ◽  
L. Seguin
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Figures Of Merit ◽  
Diffraction Patterns

Precise X-ray powder diffraction patterns of hydrated and anhydrous thallium pentaborates have been collected on a D5000 diffractometer with a primary monochromated beam (λ Cu Kα1=1.5406 Å). Refinement of indexed reflections led to the following unit cell parameters: a=11.279(1)Å, b=7.1507(6)Å, c=13.953(1)Å, β=94.164(7)° in the P21/c space group with Z=4, Dx=2.713 gcm−3, Dm=2.6 gcm−3 for Tl[B5O6(OH)4]·2H2O and a=7.5698(5)Å, b=11.9509(6)Å, c=14.759(1)Å in the Pbca space group with Z=8, Dx=3.844 gcm−3, Dm=3.6 gcm−3 for TlB5O8. Very good Smith and Snyder figures of merit have been obtained: F30=139.7 (0.0043, 50) for Tl[B5O6(OH)4]·2H2O and F30=139.3 (0.0054, 40) for TlB5O8.

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