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 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.

Powder diffraction investigations of naphthalenesulfonic acids and their complexes with DMAN

2004 ◽  
Vol 19 (4) ◽  
pp. 378-384
Author(s):  
A. Rafalska-Lasocha ◽  
M. Grzywa ◽  
B. Włodarczyk-Gajda ◽  
W. Lasocha
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Acid Hydrate ◽  
M 12 ◽  
Diffraction Patterns

The X-ray diffraction patterns of two organic acids 1-naphthalenesulfonic acid dihydrate and 2-naphthalenesulfonic acid hydrate were measured at room temperature. Complexes of these acids with 1,8-bis(dimethylamino)naphthalene (DMAN) were synthesized, purified and investigated by means of X-ray powder diffraction. 1-Naphthalenesulfonic acid dihydrate as well as its complex with 1,8-bis(dimethylamino)naphthalene crystallize in the monoclinic system with unit cell parameters refined to a=0.91531(8) nm, b=0.7919(1) nm, c=0.8184(1) nm, β=101.618(9)° space group P21/m (11) and a=1.7781(4) nm, b=2.0122(4) nm, c=1.2337(2) nm, β=96.54(3)°, space group C2/m (12), respectively. 2-Naphthalenesulfonic acid hydrate crystallizes in the orthorhombic system with a=2.2749(3) nm, b=0.7745(1) nm, c=0.591 36(9) nm, space group Pnma, whereas its complex with 1,8-bis(dimethylamino)naphthalene crystallizes in the triclinic system a=1.3969(6) nm, b=1.4292(5) nm, c=1.1741(6) nm, α=90.93(3)°, β=98.14(3)°, γ=113.93(3)°, space group P-1 (2).

Powder diffraction investigations of 2,2′-Thiobis(4-methyl-6-tert-butylphenol) and 2,2′-Methylenebis(4-methyl-6-tert-butylphenol)

2005 ◽  
Vol 20 (1) ◽  
pp. 67-70
Author(s):  
B. Lasocha ◽  
M. Grzywa ◽  
W. Lasocha
Keyword(s):  
Room Temperature ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Phenol Derivatives

X-ray diffraction investigations of two phenol derivatives - 2,2′-Thiobis(4-methyl-6-tert-butylphenol) and 2,2′-Methylenebis(4-methyl-6-tert-butylphenol) were carried out. Both compounds at room temperature have similar cell volume and the same number of molecules in an unit cell. However, 2,2′-Thiobis(4-methyl-6-tert-butylphenol) crystallizes in the monoclinic system with unit cell parameters refined to a=0.8278(2) nm, b=1.2968(4) nm, c=1.9493(7) nm, β=90.93(2)°, space group P21∕n(14), whereas 2,2′-Methylenebis(4-methyl-6-tert-butylphenol) crystallizes in the orthorhombic system with unit cell parameters refined to a=1.6203(5) nm, b=1.2827(5) nm, c=1.0197(3) nm, space group Pna21(33). The investigated C22H30O2S turned out to be a new polymorph of 2,2′-Thiobis(4-methyl-6-tert-butylphenol).

X-ray powder diffraction investigations of phenol derivatives

2004 ◽  
Vol 19 (3) ◽  
pp. 292-295
Author(s):  
A. Rafalska-Lasocha ◽  
B. Włodarczyk-Gajda ◽  
M. Grzywa ◽  
W. Lasocha
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
Unit Cell Parameters ◽  
Hexagonal System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Phenol Derivatives ◽  
Triclinic System ◽  
Diffraction Patterns

The X-ray powder diffraction patterns of three phenol derivatives—2-chlorophenol, 2,6-dichloro-4-nitrophenol, and 2,6-dichloro-phenoloindophenol tetrahydrate—were collected and the lattice parameters of these compounds were determined. The measurement for 2-chlorophenol was carried out at 250 K in a low-temperature chamber; this compound crystallizes in hexagonal system with a=1.59602(8) nm, c=0.59761(7) nm, space group P6 or P63/m. Investigated at room temperature, 2,6-dichloro-4-nitrophenol and 2,6-dichloro-phenoloindophenol tetrahydrate crystallize in the triclinic system with the unit cell parameters refined to a=0.8169(2) nm, b=1.6637(6) nm, c=0.7440(1) nm, α=96.6(3)°, β=116.19(2)°, γ=78.68°, and space group P-1(2), and a=0.7792(3) nm, b=1.2795(4) nm, c=0.7256(3) nm, α=91.17(5)°, β=96.93(4)°, γ=85.41(3)°, and space group P-1(2), respectively. © 2004 International Centre for Diffraction Data.

Preparation and crystal structure of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7

2008 ◽  
Vol 23 (3) ◽  
pp. 232-240
Author(s):  
Abderrahim Aatiq ◽  
Rachid Bakri ◽  
Aaron Richard Sakulich
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Room Temperature ◽  
Rietveld Method ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Synthesis and structure of two phosphates belonging to the ternary Sb2O5–In2O3–P2O5 system are realized. Structures of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7 phases, obtained by solid state reaction in air at 950 °C, were determined at room temperature from X-ray powder diffraction using the Rietveld method. SbV1.50InIII0.50(PO4)3 have a monoclinic (space group P21/n) distortion of the Sc2(W O4)3-type framework. Its structure is constituted by corner-shared SbO6 or InO6 octahedra and PO4 tetrahedra. Monoclinic unit cell parameters are a=11.801(2) Å, b=8.623(1) Å, c=8.372(1) Å, and β=90.93(1)°. (Sb0.50In0.50)P2O7 is isotypic with (Sb0.50Fe0.50)P2O7 and crystallizes in orthorhombic system (space group Pna21) with a=7.9389(1) Å, b=16.0664(2) Å, and c=7.9777(1) Å. Its structure is built up from corner-shared SbO6 or InO6 octahedra and P2O7 groups (two group-types). Each P2O7 group shares its six vertices with three SbO6 and three InO6 octahedra, and each octahedron is connected to six P2O7 groups.

Synthesis and X-ray diffraction data of 1-N-(4-pyridylmethyl)amino naphthalene

2010 ◽  
Vol 25 (1) ◽  
pp. 72-74 ◽  
Author(s):  
H. A. Camargo ◽  
J. A. Henao ◽  
D. F. Amado ◽  
V. V. Kouznetsov
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

1-N-(4-pyridylmethyl)amino naphtalene was synthesized by means of a reaction of alpha-naphthylamine, 4-pyridylcarboxyaldehyde, in anhydrous ethanol to obtainN-(4-pyridylen)-alpha-naphthylamine and that was reduced with NaBH4 to produce the wanted compound. The X-ray powder diffraction pattern for the new compound 1-N-(4-pyrydylmethyl)amino naphtalene was obtained. This compound crystallizes in a monoclinic system with refined unit cell parameters a=10.375(5) Å, b=17.665(6) Å, c=5.566(2) Å, β=100.11(3), and V=1004.3(5) Å3, with space group P2/m (No. 10).

X-ray powder diffraction pattern for lactitol and lactitol monohydrate

1994 ◽  
Vol 9 (3) ◽  
pp. 213-216 ◽  
Author(s):  
J. Valkonen ◽  
P. Perkkalainen ◽  
I. Pitkänen ◽  
H. Rautiainen
Keyword(s):  
Powder Diffraction ◽  
Least Squares Method ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Cell Dimensions ◽  
Diffraction Patterns ◽  
Unit Cell Dimensions

Diffraction patterns were recorded, and unit cell dimensions refined by the least-squares method, for lactitol and lactitol monohydrate. Refined unit cell parameters for lactitol are: a =7.622(1) Å, b = 10.764(2) Å, c = 9.375(1) Å, β= 108.25(1)° in space group P21, and those for lactitol monohydrate a =7.844(1) Å, b = 12.673(2) Å, c = 15.942(2) Å in space group P212121.

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 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 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.

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