The Crystal Structure of Bis(2,2′:6′,2″-terpyridine)nickel(II) Perchlorate Hydrate

1995 ◽  
Vol 48 (7) ◽  
pp. 1373 ◽  
Author(s):  
AT Baker ◽  
DC Craig ◽  
AD Rae
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Least Squares ◽  
Axial Compression ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Octahedral Symmetry ◽  
Space Group ◽  
X Ray

The crystal structure of bis (2,2′:6′,2″-terpyridine)nickel(II) bis (perchlorate) hydrate has been determined by single-crystal X-ray diffractometry . The compound is monoclinic, space group P21, with two molecules in a unit cell of dimensions a 8.827(4), b 8.910(2), c 20.148(9) Ǻ, β 98.71(2)°. The structure was refined by least-squares to a residual of 0.065 for 2184 observed reflections. The compound is found to be isomorphic with the iron(II) analogue previously reported: the cation has approximate D2d symmetry, with the main distortion from octahedral symmetry being an axial compression. Both the solid state reflectance and solution spectra have been measured and some significant differences are noted.

Notizen: Solid State Structure of N,N-Dibenzylhydroxylamine

1995 ◽  
Vol 50 (4) ◽  
pp. 699-701 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Jürgen Riede ◽  
Klaus Angermaier ◽  
Hubert Schmidbaur
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of N,N-dibenzylhydroxylamine (1) has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 21/n with four formula units in the unit cell. N,N-dibenzylhydroxylamine dimerizes to give N2O2H2 sixmembered rings as a result of the formation of two hydrogen bonds O - H ··· N in the solid state.

Crystal structure of zerumbone [(E,E,E)-2,6,9,9-Tetramethylcycloundeca-2,6,10-trien-1-one]

1981 ◽  
Vol 34 (10) ◽  
pp. 2243 ◽  
Author(s):  
SR Hall ◽  
S Nimgirawath ◽  
CL Raston ◽  
A Sittatrakul ◽  
S Thadaniti ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Zingiber Zerumbet ◽  
Space Group ◽  
X Ray ◽  
Considerable Distortion

The crystal structure of zerumbone, C15H22O, extracted from the rhizomes of Zingiber zerumbet Smith, has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.051 for 925 'observed' reflections. Crystals are monoclinic, space group P21/c, a 9.036(3), b 9.712(5), c 15.643(6) �, β 97.19(3)�, Z = 4. Although the molecule has no chiral centre, the presence of the three trans double bonds confers considerable distortion and rigidity on the eleven-membered ring and renders the whole molecule chiral and potentially resolvable.

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

Crystal structure of triclinic rubidium dichromate, Rb2Cr2O7

1970 ◽  
Vol 48 (4) ◽  
pp. 537-543 ◽  
Author(s):  
N. Ch. Panagiotopoulos ◽  
I. D. Brown
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Dichromate Ions ◽  
Oxygen Atoms

The crystal structure of triclinic rubidium dichromate has been determined by single crystal X-ray diffraction. The crystal belongs to space group [Formula: see text] with a = 13.554, b = 7.640, c = 7.735 Å, α = 93.64°, β = 98.52°, γ = 88.80° and has four Rb2Cr2O7 units in the unit cell. The final weighted agreement index after refinement by least-squares analysis is 0.058. The configuration of the dichromate ions is similar to that found in most other dichromate structures (Cr—O (bridging) = 1.78 Å, Cr—O (terminal) = 1.62 Å). The two non-equivalent Cr—O—Cr angles are 123 and 137°. The rubidium ions are surrounded by either 8 or 9 oxygen atoms at distances ranging from 2.86 to 3.31 Å. The structure of triclinic Rb2Cr2O7 is similar, but not identical, to that of triclinic K2Cr2O7.

scholarly journals Die Kristallstruktur von Calciumhexacyanoferrat(II)- Hexamethylentetramin-Wasser(1/1/6) Ca2 [Fe(CN)6] · C6H12N4 · 6H2O / The Crystal Structure of Calciumhexacyanoferrate(II)- Hexamethylenetetramine-Water(1/1/6) Ca2[Fe(CN)6] · C 6H12N4 · 6H2O

1988 ◽  
Vol 43 (2) ◽  
pp. 135-137 ◽  
Author(s):  
H.-Jürgen Meyer ◽  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Unit Cell ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Water Molecules ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

Ca2[Fe(CN)6] · C6H12N4 · 6H2O crystallizes in the monoclinic space group B2/b with a = 1130,2(4), b = 1373,5(4), c = 1353,0(4) pm and γ = 97,17°. The X-ray single crystal structure determination converged at R = 0.055 (2057 reflections). Each of the four Fe(CN)6 octahedra (Z = 4) in the unit cell is coordinated by six Ca atoms with mean NCYAN - Ca distances of 253.5(3) pm. The Ca atoms are bridged by hexamethylenetetramine and water molecules

Crystal Structure of Bis(2,2':6',2"-terpyridine)iron(II) Bis(perchlorate) Hydrate

1985 ◽  
Vol 38 (1) ◽  
pp. 207 ◽  
Author(s):  
AT Baker ◽  
HA Goodwin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Single Crystal ◽  
Least Squares ◽  
Lattice Water Molecule ◽  
Monoclinic Space Group ◽  
Octahedral Symmetry ◽  
X Ray ◽  
Lattice Water

The crystal structure of bis (2,2′:6′,2″-terpyridine)iron(II) bis ( perchlorate ) hydrate has been determined by single-crystal X-ray diffractometry . The compound is monoclinic, space group P21, with two molecules in a unit cell of dimensions a 8.830(3), b 8.914(1), c 20.037(6)Ǻ, β 100.82(1)°. The structure was refined by least squares to a residual of 0.048 for 2007 observed reflections. The cation is found to have approximate D2d symmetry, with the principal distortion from octahedral symmetry being an axial compression. The lattice water molecule and anions are oriented towards the interligand pockets of the cation. There is hydrogen bonding between the water molecule and one anion.

Oxotetrafluoro-vanadate(V): Die Kristallstruktur von [enH2] [VOF4(H2O)]2.

1976 ◽  
Vol 31 (5) ◽  
pp. 541-543 ◽  
Author(s):  
Helmut Rieskamp ◽  
Rainer Mattes
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Trans Position ◽  
Space Group ◽  
X Ray ◽  
In Trans ◽  
Oxygen Atoms

The crystal structure of [enH2][VOF4(H2O)]2 has been determined from X-ray diffractometer data. Crystals are monoclinic, space group C2/c with Z = 4 in a unit cell of dimensions a = 16.576(13), b = 7.781(4), c = 10.338(8) Å, β = 120.0(1)°.The structure was refined by least-squares methods to R 0.053 for 1436 reflections. The structure contains monomeric [VOF4(H2O)]⁻-ions with the oxygen atoms in trans position. The bond distances are 1.577 Å (terminal oxygen) and 2.333 Å (H2O molecule), resp. The V–F distances vary between 1.769(2) and 1.858(2) Å for fluorine atoms involved in strong hydrogen bonds.

Synthesis and Crystal Structure of 5,10,15,20-Tetrakis(3,5-dinitrophenyl)porphyrin

1998 ◽  
Vol 02 (05) ◽  
pp. 391-396 ◽  
Author(s):  
P. BHYRAPPA ◽  
K. S. SUSLICK
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structure Data ◽  
Crystal Structure Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

The synthesis, characterization and crystal structure of the octanitro-substituted porphyrin 5,10,15,20-tetrakis(3,5-dinitrophenyl)porphyrin, H 2 T (3,5- DNP ) P , are described. The solid state structure has two porphyrins in the unit cell with eight pyridine solvates and is made up from columnar arrays of the porphyrins. X-ray crystal structure data: monoclinic, space group P1 21/n1, a = 14.9996(9) Å, b = 8.2489(5) Å, c = 24.818(2) Å, α = 90 °, β = 104.172(1) °, γ = 90 °, V = 2977.3(3) Å3, dcalc = 1.440 g m-3, Z = 2.

Crystal structure of the acetic acid solvate of the molybdenum(II) acetate/sodium acetate double salt

1980 ◽  
Vol 33 (8) ◽  
pp. 1847 ◽  
Author(s):  
DL Kepert ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Sodium Acetate ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, Mo2(O2CCH3)4,Na+ - O2CCH3,HO2CCH3, has been determined by single crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.040 for 1529 'observed' reflections. Crystals are monoclinic, space group I2/c, a 8.251(5), b 18.468(9), c 13.674(6) Ǻ, β 100.25(4)°, Z 4. The compound is shown to have the above stoichiometry, containing the usual binuclear molybdenum(II) acetate cluster together with pairs of hydrogen-bonded acetic acid/acetate units.

Synthesis, characterization, and crystal structure of two zinc linear dicarboxylates

2016 ◽  
Vol 31 (3) ◽  
pp. 229-232
Author(s):  
Berenice Torruco Baca ◽  
Luis Felipe del Castillo ◽  
Paula Vera-Cruz ◽  
Rubén A. Toscano ◽  
Joelis Rodríguez-Hernández ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Rietveld Method ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Zinc Adipate

Two different crystalline structures corresponding to a zinc adipate and a zinc succinate were determined combining: X-ray powder and single-crystal diffraction, infrared spectroscopy, thermal analysis, and true densities experiments. The zinc succinate crystal structure was determined by single-crystal X-ray diffraction. This compound crystallizes in the orthorhombic space-group Cccm with unit-cell parameters a = 4.792(1) Å, b = 21.204(6) Å, c = 6.691(2) Å, V = 679.8(3) Å3, and Z = 8. Zinc adipate crystal structure was refined from the laboratory X-ray powder diffraction data by the Rietveld method. It crystallizes in the monoclinic space group P2/c with unit-cell parameters, a = 16.2037(17)Å, b = 4.7810(2)Å, c = 9.2692(6)Å, β = 90.329(3)°, V = 718.07(9) Å3, and Z = 4. The thermal expansion of it was estimated in 5.40 × 10−5 K−1. This contribution is a step on the way to systematize the regularities in the coordination diversity between linear dicarboxylates and transition metal–inorganic buildings units of metal–organic frameworks.

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