Powder X-ray diffraction of azelastine hydrochloride, C22H25ClN3O·Cl

2020 ◽  
pp. 1-2
Author(s):  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Synchrotron Radiation ◽  
Powder Diffraction ◽  
Lattice Parameters ◽  
Powder Pattern ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

Commercial azelastine hydrochloride crystallizes in the monoclinic space group P21/n (#14) with a = 13.7844(5), b = 16.39920(14), c = 9.41231(22) Å, β = 97.5340(20)°, V = 2109.32(4) Å3, and Z = 4. The lattice parameters differ by −0.02, +0.04, and +0.04% from those in the previous determination (reflecting differences in the temperature and the sample source), and are more precise, from the use of synchrotron radiation. The experimental powder pattern is included in the Powder Diffraction File™ (PDF®) as entry 00-070-1219.

On racemic and L-malates: a comparison of their crystal structures

2004 ◽  
Vol 219 (2) ◽  
Author(s):  
Michel Fleck ◽  
Ekkehart Tillmanns ◽  
Ladislav Bohatý ◽  
Peter Held
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

AbstractThe crystal structures of eight different L-malates have been determined and refined from single-crystal X-ray diffraction data. The compounds are the monoclinic (space groupIn addition, for all the compounds, powder diffraction data were collected, analysed and submitted to the powder diffraction file (PDF).

X-ray powder diffraction studies of (BaxSr1−x)2Co2Fe12O22 and (BaxSr1−x)Co2Fe16O27

2015 ◽  
Vol 30 (2) ◽  
pp. 139-148 ◽  
Author(s):  
W. Wong-Ng ◽  
G. Liu ◽  
Y. Yan ◽  
K. R. Talley ◽  
J. A. Kaduk
Keyword(s):  
Seebeck Coefficient ◽  
Powder Diffraction ◽  
Lattice Parameters ◽  
Hexagonal Ferrite ◽  
Layered Compounds ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray ◽  
Diffraction Patterns

X-ray structural characterization and X-ray reference powder patterns have been determined for two series of iron- and cobalt-containing layered compounds (BaxSr1−x)2Co2Fe12O22 (x = 0.2, 0.4, 0.6, 0.8) and (BaxSr1−x)Co2Fe16O27 (x = 0.2, 0.4, 0.6, 0.8). The (BaxSr1−x)2Co2Fe12O22 series of compounds crystallized in the space group R$\bar 3$m (No. 166), with Z = 3. The structure is essentially that of the Y-type hexagonal ferrite, BaM2+Fe63+O11. The lattice parameters range from a = 5.859 15(8) to 5.843 72(8) Å, and c = 43.4975(9) to 43.3516(9) Å for x = 0.2 to 0.8, respectively. The (BaxSr1−x)Co2Fe16O27 series (W-type hexagonal ferrite) crystallized in the space group P63/mmc (No. 194) and Z = 2. The lattice parameters range from a = 5.902 05(12) to 5.8979(2) Å and c = 32.9002(10) to 32.8110(13) Å for x = 0.2 to 0.8. Results of measurements of the Seebeck coefficient and resistivity of these two sets of samples indicated that they are insulators. Powder X-ray diffraction patterns of these two series of compounds have been submitted to be included in the Powder Diffraction File.

X-ray powder diffraction study on ErNi2Ge2

1999 ◽  
Vol 14 (2) ◽  
pp. 145-146
Author(s):  
Liangqin Nong ◽  
Lingmin Zeng
Keyword(s):  
Least Squares ◽  
Diffraction Study ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Rietveld Analysis ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

An X-ray diffraction pattern for ErNi2Ge2 at room temperature is reported. ErNi2Ge2 is tetragonal with lattice parameters a=4.0191(2) Å, c=9.7643(2) Å, space group I4/mmm, and Z=2. The lattice parameters derived from Rietveld analysis agree well with the results of a least-squares refinement.

Crystal structures and reference X-ray powder diffraction patterns of Sr4−xCaxPb2O8 (x=1,2,3)

1998 ◽  
Vol 13 (4) ◽  
pp. 232-240 ◽  
Author(s):  
W. Wong-Ng ◽  
J. A. Kaduk ◽  
W. Greenwood
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Alkaline Earth ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
X Ray ◽  
Diffraction Patterns

The crystal structure of the solid solution alkaline earth plumbate phase Sr4−xCaxPb2O8 was investigated using the X-ray Rietveld technique for x=1, 2, and 3. The lattice parameters a, b, c, and V were found to decrease linearly as the Sr at site 4h was replaced by Ca. The structure features chains of edge-sharing PbO6 octahedra, linked by seven-coordinated (Ca/Sr)–O monocapped trigonal prisms. The structure is similar to that of Pb3O4, which can be reformulated as Pb2IIPbIVO4. X-ray diffraction patterns for the solid solution members SrCa3Pb2O8, Sr2Ca2Pb2O8, and Sr3CaPb2O8 were prepared for inclusion in the Powder Diffraction File.

Powder X-ray diffraction of varenicline hydrogen tartrate Form B (Chantix®), (C13H14N3)(HC4H4O6)

2021 ◽  
pp. 1-3
Author(s):  
James A. Kaduk ◽  
Amy M. Gindhart ◽  
Thomas N. Blanton
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Density Functional ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray

The crystal structure of varenicline hydrogen tartrate Form B (Chantix®) has been refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Varenicline hydrogen tartrate Form B crystallizes in space group P212121 (#19) with a = 7.07616(2), b = 7.78357(2), c = 29.86149(7) Å, V = 1644.706(6) Å3, and Z = 4. The hydrogen bonds were identified and quantified. Hydrogen bonds link the cations and anions in zig-zag chains along the b-axis. The powder pattern has been submitted to ICDD® for inclusion in the Powder Diffraction File™ (PDF®).

Powder Diffraction Data for Trans-Bis (Dimethylphenylphosphine) Bis (Pyrazole) Platinum, [Pt(C3H4N2)2{P(CH3)2(C6H5)}2] and Trans-(Tricyclohexylphosphino)-(Triethylphosphino) Platinum(II) Chloride, PtCl2P2C24H48

1986 ◽  
Vol 1 (2) ◽  
pp. 33-34 ◽  
Author(s):  
D. F. Mullica ◽  
E. L. Sappenfield
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Figures Of Merit

AbstractThe indexed X-ray diffraction powder data of trans-bis(dimethylphenylphosphine)bis(pyrazole)platinum, {Pt(C3H4N2)2[P(CH3)2(C6H5)]2, PTPP} and trans-(tricyclohexylphosphino) (triethylphosphino) platinum(II) chloride, (PtCl2P2C24H48, PTHE) are reported. PTPP crystallizes in the monoclinic space group C2/c and PTHE crystallizes in the orthorhombic space group Pcab. The refined cell parameters were determined by employing a Siemens Debye-Scherrer camera (Fe radiation, λmean = 1.93736 Å). The cell constants are a = 21.516(5), b = 6.287(1), c = 17.929(4)Å, β = 102.51(1)°, V = 2367.7Å3 Dx=1.70Mg m−3, Dm = 1.70Mg m−3 for PTPP and a = 12.271(1), b = 19.375(1), c = 23.864(3)Å, V = 5673.4Å3, Dx = 1.553Mg m−3 for PTHE. The quantitative figures of merit (FN) are F23 = 47(0.010,51) [F20 = 60(0.009,35)] for PTPP and F30 = 12(0.008,324) [F20 = 27(0.017,105)] for PTHE. The JCPD S Diffraction File No. for PTPP is 37-1999 and for PTHE is 37-2000.

On the Crystal Structure of Bi2Te4O11

1992 ◽  
Vol 45 (9) ◽  
pp. 1415 ◽  
Author(s):  
HJ Rossell ◽  
M Leblanc ◽  
G Ferey ◽  
DJM Bevan ◽  
DJ Simpson ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lone Pair ◽  
Lattice Parameters ◽  
Powder Pattern ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Fluorite Type ◽  
Lone Pair Electrons

Bi2Te4O11 is monoclinic, space group P21/n; the lattice parameters derived from a Guinier powder pattern ( Si standard) are: a = 6.9909(3), b = 7.9593(3), c = 18.8963(8) � , β = 95.176(3)�, Z = 4, V = 1047.15 �. The structure was solved independently from both single-crystal X-ray data and a combination of X-ray and neutron powder data. It is an anion-deficient superstructure of fluorite in which can be recognized the ordered intergrowth of fluorite-type Bi2Te2O7 and rutile-type Te2O4. Lone-pair electrons are stereochemically active.

Crystal chemistry and X-ray diffraction patterns for Co(NixZn1−x)Nb4O12(x= 0.2, 0.4, 0.6, 0.8)

2016 ◽  
Vol 31 (4) ◽  
pp. 279-284
Author(s):  
G. Liu ◽  
W. Wong-Ng ◽  
J. A. Kaduk
Keyword(s):  
Crystal Chemistry ◽  
Powder Diffraction ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Single Chain ◽  
Powder Diffraction File ◽  
Space Group ◽  
X Ray ◽  
Cobalt Nickel ◽  
Diffraction Patterns

X-ray reference powder patterns and structures have been determined for a series of cobalt-, nickel- and zinc-containing niobates, Co(NixZn1−x)Nb4O12(x= 0.2, 0.4, 0.6, 0.8). The Co(NixZn1−x)Nb4O12series crystallize in the space group ofPbcn, which is of the disordered columbite-type structure (α-PbO2). The lattice parameters range froma= 14.11190(13) to 14.1569(3) Å,b= 5.69965(6) to 5.71209(13) Å,c= 5.03332(5) to 5.03673(11) Å, andV= 404.844(8) to 407.296(17) Å3fromx= 0.8 to 0.2, respectively. Co(NixZn1−x)Nb4O12contains double zig-zag chains of NbO6octahedra and single chain of (Ni,Zn,Co)O6octahedra run parallel to thebc-plane. Within the same chain the NbO6octahedra share edges, while the adjacent NbO6chains are joined to each other through common oxygen corners. These double NbO6chains are further linked together along the [100]-direction through another (Co,Ni,Zn)O6units, via common oxygen corners. The edge-sharing (Co,Ni,Zn)O6also forms zig-zag chains along thec-axis. Powder X-ray diffraction patterns of this series of compounds have been submitted to be included in the Powder Diffraction File.

X-ray powder diffraction study of K3H(SO4)2

1999 ◽  
Vol 14 (1) ◽  
pp. 45-48 ◽  
Author(s):  
G. V. Narasimha Rao ◽  
T. Sakuntala
Keyword(s):  
Diffraction Study ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The structure of K3H(SO4)2 is found to be monoclinic with space group C2/c based on analogy of the powder X-ray diffraction pattern with that of the Rb3H(SO4)2. The lattice parameters are a=14.6984(7), b=5.6840(2), c=9.7834(5) Å, and β=103.004(5)°, Vol=796.39(5); Dx=2.589 gcm−3, Z=4, and I/Icor=1.30.

X-ray diffraction study and powder patterns of double-perovskites Sr2RSbO6 (R = Pr, Nd, Sm, Eu, Gd, Dy, Ho, Y, Er, Tm, Yb, and Lu)

2014 ◽  
Vol 29 (4) ◽  
pp. 371-378 ◽  
Author(s):  
W. Wong-Ng ◽  
J. A. Kaduk ◽  
M. Luong ◽  
Q. Huang
Keyword(s):  
Diffraction Study ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Double Perovskite ◽  
Lattice Parameters ◽  
Double Perovskites ◽  
X Ray Diffraction ◽  
Powder Diffraction File ◽  
X Ray ◽  
Diffraction Patterns

The X-ray diffraction powder patterns were prepared and the crystal structures were refined for the double-perovskite series of compounds, Sr2RSbO6 (R = Pr, Nd, Sm, Eu, Gd, Dy, Ho, Y, Er, Tm, Yb, and Lu). We found the structures of the entire Sr2RSbO6 series to be monoclinic with space group P21/n (no. 14), and Z = 2. From R = Lu to Pr, the lattice parameters “a” range from 5.7779(2) to 5.879 05(8) Å, “b” range from 5.7888(2) to 5.969 52(9) Å, “c” range from 8.1767(3) to 8.369 20(12) Å, “β” range from 90.112(2)° to 90.313(1)°, and “V” range from 273.483(4) to 293.714(7) Å3. These lattice parameters follow the well-established trend of “lanthanide contraction”. The R3+ and Sb5+ ions are found to be fully ordered in the double-perovskite arrangement of alternating corner-sharing octahedra in a zigzag fashion. The SrO12, RO6, and SbO6 cages are all found to have distorted coordination environments. Powder diffraction patterns of these compounds have been prepared, submitted, and published in the Powder Diffraction File.

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