Powder diffraction investigations of some organic hydrochlorides

2006 ◽  
Vol 21 (4) ◽  
pp. 310-313 ◽  
Author(s):  
B. Lasocha ◽  
B. Gawel ◽  
W. Lasocha
Keyword(s):  
Powder Diffraction ◽  
Lattice Parameters ◽  
Chemical Formula ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group ◽  
Methylamine Hydrochloride ◽  
Tetragonal System

Amantadine hydrochloride, p-aminophenol hydrochloride, and methylamine hydrochloride, compounds often studied in pharmacology, were investigated by means of powder diffractometry. The chemical formula of the first compound is C10H17N HCl and crystallizes in the monoclinic system, space group C2∕c (15) with lattice parameters a=2.0279(6) nm, b=1.1171(2) nm, c=9.759(4) nm, and β=109.00(3)°. p-Aminophenol hydrochloride C6H7NO HCl crystallizes in the orthorhombic system, space group P222 with lattice parameters a=0.6619(2) nm, b=0.88461(2) nm, and c=0.6101(2) nm. Methylamine hydrochloride CH5N∙HCl crystallizes in the tetragonal system, space group P4∕nmm (129) with lattice parameters a=b=0.6068(1) nm and c=0.50689(8) nm.

X-ray powder diffraction study of DMAN complexes with phthalic acids

2005 ◽  
Vol 20 (1) ◽  
pp. 62-66
Author(s):  
A. Rafalska-Lasocha ◽  
K. Surówka ◽  
W. Lasocha
Keyword(s):  
Diffraction Study ◽  
Powder Diffraction ◽  
Terephthalic Acid ◽  
Phthalic Acid ◽  
Lattice Parameters ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Phthalic Acids

Complexes of 1,8-bis(dimethylamino)naphthalene, known also as DMAN, with phthalic acid, terephthalic acid, and 5-aminoisophthalic acid were synthesized and investigated by means of powder diffraction methods. DMAN and phthalic acid complexes crystallize in the orthorhombic system, space group Pnmm (59) with the lattice parameters a=1.17423(3) nm, b=1.7124(4) nm, c=0.9933(4) nm, V=1.997 24 nm3, whereas DMAN complexes with terephthalic acid or 5-aminoisophthalic acid crystallize in the monoclinic system in the space group P2 or P2∕m with the lattice parameters a=2.4337(5) nm, b=0.9665(2) nm, c=1.1800(3) nm, β=91.53(2)°, V=2.774 51 nm3 and a=2.1609(7) nm, b=1.1017(6) nm, c=1.8921(7) nm, β=112.095(34)°, V=4.173 46 nm3, respectively.

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)°.

Crystal structures of N,N′-bis(thiophen-2-ylmethyl)ethane-1,2-diaminium hydrochloride and of its [AuCl4]− salt solved by powder diffraction

2014 ◽  
Vol 29 (3) ◽  
pp. 300-306 ◽  
Author(s):  
Silvioney A. Silva ◽  
Norberto Masciocchi ◽  
Alexandre Cuin
Keyword(s):  
Aqueous Solution ◽  
Schiff Base ◽  
Crystal Structures ◽  
Powder Diffraction ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Analytical Characterization ◽  
Space Group ◽  
Cell Parameters ◽  
Hcl Solution

Preparation, analytical characterization, and crystal structures of N,N′-bis(thiophen-2-ylmethyl)ethane-1,2-diaminium hydrochloride (1) and of its gold derivative, N,N′-bis(thiophen-2-ylmethyl)ethane-1,2-diaminium tetrachloroaurate(III) (2) are reported. Compound (1) was obtained by reduction of the Schiff base N,N′-bis(thiophen-2-ylmethyl)ethane-1,2-diamine followed by HCl solution addition, whereas compound (2) was prepared reacting (1) with K[AuCl4] in aqueous solution. Compound (1) crystallizes in the orthorhombic system with space group Iba2 and cell parameters a = 29.856(1), b = 5.1372(2), and c = 10.1635(4) Å. Crystals of (2) belong to the monoclinic system with space group P21/c and cell parameters a = 11.0829(1), b = 9.5852(1), c = 11.6054(2) Å, and β = 75.49(1)°. Both structures contain diprotonated organic moieties, counterbalanced by hydrogen-bonded Cl−, or [AuCl4]− ions, in compounds (1) and (2), respectively.

Crystal structure of a new compound Li2Mg2(WO4)3

1994 ◽  
Vol 9 (3) ◽  
pp. 158-160 ◽  
Author(s):  
Zhengmin Fu ◽  
Wenxiu Li
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Measured Density

The crystal structure of a new compound Li2Mg2(WO4)3 has been determined by means of X-ray powder diffraction. Li2Mg2(WO4)3 belongs to the orthorhombic system, with space group Pnma and the lattice parameters are: a = 5.1129 Å, b = 10.462 A, and c = 17.612 Å at room.temperature. Its measured density is Dm = 5.48 g/cm3, and each unit cell contains four formula weights.

scholarly journals Crystal Structures of Ethyl 4-(4-Florophenyl)-6-phenyl-2-substituted-3-pyridinecarboxylates

2014 ◽  
Vol 2014 ◽  
pp. 1-7
Author(s):  
ElSayed M. Shalaby ◽  
Aisha M. Moustafa ◽  
Adel S. Girgis ◽  
Aida M. ElShaabiny
Keyword(s):  
Crystal Structures ◽  
Piperidine Ring ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group ◽  
Morpholine Ring

Three substituted pyridinecarboxylates were synthesized; (I) ethyl 2-bromo-4-4(fluorophenyl)-6-phenyl-3-pyridinecarboxylate, C20H15BrFNO2, (II) ethyl 4-(4-fluorophenyl)-2-(4-morpholinyl)-6-phenyl-3-pyridinecarboxylate, C24H23FN2O3, and (III) ethyl 4-(4-fluorophenyl)-6-phenyl-2-(1-piperidinyl)-3-pyridinecarboxylate, C25H25FN2O2. It was found that compound (I) belongs to the orthorhombic system with space group P212121, compound (II) to the monoclinic system with space group P21/c, and compound (III) to the monoclinic system with space group C2/c. The morpholine ring in (II) and piperidine ring in (III) have the shape of the distorted chair configuration.

Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction

2001 ◽  
Vol 57 (5) ◽  
pp. 673-679 ◽  
Author(s):  
Consiglia Tedesco ◽  
Robert E. Dinnebier ◽  
Falk Olbrich ◽  
Sander van Smaalen
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Lattice Parameters ◽  
Space Group ◽  
X Ray ◽  
Disordered Crystal

The crystal structure of pentamethylcyclopentadienylsodium, [NaC10H15] (NaCp*), has been determined from high-resolution X-ray powder diffraction. The compound crystallizes in space group Cmcm with lattice parameters a = 4.61030 (3), b = 16.4621 (3), c = 14.6751 (2) Å, V = 1113.77 (4) Å3 (Z = 4). NaCp* forms polymeric multidecker chains along the a axis. The Rietveld refinement (Rp = 0.050 and RF = 0.163) shows that the Cp* moieties occupy, with disorder, two different orientations rotated away from the eclipsed conformation by ±13.8°.

Crystal Structure of the New Compound NdFeSb3

2007 ◽  
Vol 353-358 ◽  
pp. 3043-3046 ◽  
Author(s):  
Ping Li Qin ◽  
Liang Qin Nong ◽  
Ji Liang Zhang ◽  
Hai Qing Qin ◽  
Jiang Ping Liao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Structure Type ◽  
Lattice Parameters ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of a new compound NdFeSb3 has been determined by X-ray powder diffraction using the Rietveld method. The compound crystallizes in the orthorhombic, space group Pbcm (No.57) with the CeNiSb3 structure type and lattice parameters a=1.26828(2)nm, b=0.61666(2)nm, c=1.81867(4) nm, z=12 and Dcalc=7.917g/cm3.

Crystal and molecular structure of the nickel(II) chelate of salicylidenethiosemicarbazone ammine - C8H7N3OSNi.NH3

1981 ◽  
Vol 46 (4) ◽  
pp. 975-981 ◽  
Author(s):  
Eduard Gyepes ◽  
František Pavelčík ◽  
Anton Beňo
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Specific Weight ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
Symmetry Space ◽  
Symmetry Space Group

The nickel(II) chelate of salicylidenethiosemicarbazone ammine-C8H7N3OSNi.NH3 crystallizes in a monoclinic system. The lattice parameters are: a = 6.857(2), b = 9.763(2), c = 15.340(4) .10-10 m, β = 90.34(2)° and the volume of the unit cell V = 1027(1) . 10-30 m3; the specific weight was measured as dm = 1.76 Mg m-3 and calculated as dc = 1.74 Mg m-3. The number of formula units in the unit cell, Z = 4, and the symmetry space group is P21/c.

New Quaternary Selenoantimonates AHgSbSe3 (A = Rb, Cs): Synthesis, Structures and Optical Properties

1998 ◽  
Vol 547 ◽  
Author(s):  
Zhen Chen ◽  
Ru-Ji Wang ◽  
Jing Li
Keyword(s):  
Optical Properties ◽  
Alkali Metal ◽  
Crystal Structures ◽  
Diffuse Reflectance ◽  
Layered Materials ◽  
Band Gaps ◽  
Alkali Metal Cations ◽  
Monoclinic System ◽  
Orthorhombic System ◽  
Space Group

AbstractSolvothermal reactions in ethylenediamine have resulted in two quaternary mercury containing selenoantimonates: RbHgSbSe3 (I) and CsHgSbSe3 (II). Compound I crystallizes in monoclinic system, space group P2l/c (no. 14) with a = 7.758(2)Å, b = 11.234(2)Å, c = 8.849(2) Å, β = 106.60(3)°, V = 739.1(3)Å3, Z = 4. Compound II crystallizes in orthorhombic system, space group Cmcm (no. 63) with a = 4.444(1)Å, b = 15.514(6)Å, c = 11.261(7) Å, V = 776.4(6) Å3, Z = 4. Both compounds are layered materials and their crystal structures are closely related. Both contain layers of 2[HgSbSe3-] separated by alkali-metal cations A+ (Rb, Cs). Diffuse reflectance experiments show that both compounds are semiconductors with estimated band gaps of 1.7 eV for I and 1.6 eV for II, respectively.

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.

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