scholarly journals X-ray structural studies of the interactions between the components of protein and nucleic acid. II. Crystal structure of the adenin-9-ylethylamine: phenylacetic acid (1:1) complex.

1982 ◽  
Vol 30 (12) ◽  
pp. 4249-4257 ◽  
Author(s):  
TOSHIMASA ISHIDA ◽  
MITSUNOBU DOI ◽  
TOSHIKAZU OKUNO ◽  
MASATOSHI INOUE
Keyword(s):  
Crystal Structure ◽  
Nucleic Acid ◽  
Phenylacetic Acid ◽  
Structural Studies ◽  
X Ray

Study of thermal properties of Ga0.5In1.5Se3 by differential scanning calorimetry

2021 ◽  
pp. 2150407
Author(s):  
S. I. Ibrahimova
Keyword(s):  
Crystal Structure ◽  
Differential Scanning Calorimetry ◽  
Thermal Properties ◽  
Thermal Effects ◽  
Room Temperature ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Hexagonal Symmetry ◽  
Scanning Calorimetry ◽  
X Ray

The crystal structure and thermal properties of the [Formula: see text] compound have been investigated. Structural studies were performed by X-ray diffraction at room temperature. The crystal structure of this compound was found to correspond to the hexagonal symmetry of the space group P61. Thermal properties were studied using a differential scanning calorimetry (DSC). It was found in the temperature range [Formula: see text] that thermal effects occur at temperatures [Formula: see text] and [Formula: see text]. The thermodynamic parameters of these effects are calculated.

The Nitration of 4,6-Disubstituted 2-Phenylphenols. Some Structural Studies

1985 ◽  
Vol 38 (4) ◽  
pp. 575 ◽  
Author(s):  
MP Hartshorn ◽  
WT Robinson ◽  
J Vaughan ◽  
JM White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Dioxide ◽  
Structural Studies ◽  
X Ray ◽  
Structure Determinations

Nitration of the bromophenols (4a) and (5a) give products of nitro-debromination . Reaction of 6-methyl-4-nitro-2-phenylphenol (5c) with nitrogen dioxide gives 2-hydroxy-2-phenylcyclohex-3-enones (8) and (9), and probably stereoisomers (10), (20), (21) and (22). The mode of ormation of these compounds is discussed. X-ray crystal structure determinations are reported for compounds (8) and (9).

Structural studies of technetium complexes. V. The preparation and crystal structure of Dichlorobis(diethyldithiocarbamato)thionitrosyltechnetium(III)

1984 ◽  
Vol 37 (4) ◽  
pp. 751 ◽  
Author(s):  
J Baldas ◽  
J Bonnyman ◽  
MF Mackay ◽  
GA Williams
Keyword(s):  
Crystal Structure ◽  
Positive Charge ◽  
Mirror Plane ◽  
Structural Studies ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Data Set ◽  
Coordination Environment ◽  
X Ray

Dichlorobis(diethyldithiocarbamato)thionitrosyltechnetium(III), [Tc(S2CNEt2)2Cl2(NS)], has been prepared by the reaction of [Tc(S2CNEt2)2N] with either disulfur dichloride or thionyl chloride. The crystal structure of [TC(S2CNEt2)2Cl2(NS)] has been determined by single-crystal X-ray diffraction methods at 15�C. Crystals are orthorhombic, space group Pcmn, with a 8.936(1), b 15.681(1), c 28.445(7) �, and Z 8. Automatic diffractometry has provided significant Bragg intensities for 2078 independent reflections, and the structure has been refined by full-matrix least-squares methods to R 0.078. The crystal lattice is disordered across a non-crystallographic mirror plane, the degree of disorder being 4.0(2)% for the crystal described above, and 21.9(7)% for another crystal initially used to obtain an intensity data set. There are two independent molecules of [Tc(S2CNEt2)2Cl2(NS)] in the asymmetric unit, and in each the technetium atom is seven-coordinate with a pentagonal-bipyramidal coordination environment. The Tc=N=S bonding is linear with Tc=N c. 1.75 and N=S c. 1.52 �, which indicates that the thionitrosyl group is a three-electron donor with a formal positive charge. This is only the third crystal structure of a complex containing the thionitrosyl group to be determined, and the first for technetium.

Structural studies of some 1-polymethyleneimino-2,4-dinitrobenzenesand related compounds; crystal structure of 1-(cis-2′,6′-dimethylpiperidin-1′-yl)-2,4-dinitrobenzene

2000 ◽  
Vol 53 (8) ◽  
pp. 715 ◽  
Author(s):  
Maureen F. Mackay ◽  
Douglas J. Gale ◽  
John F. K. Wilshire
Keyword(s):  
Crystal Structure ◽  
Phenyl Ring ◽  
Ring Opening ◽  
Boat Conformation ◽  
Structural Studies ◽  
X Ray ◽  
X Ray Crystallography ◽  
The Mean ◽  
Related Compounds ◽  
Solid State Conformation

The ultraviolet and 1H n.m.r. spectra of some 1-polymethyleneimino-2,4-dinitrobenzenes and related compounds are discussed. The effect of trifluoroacetic acid on these spectra was also investigated; with 1-azetidinyl-2,4-dinitrobenzene, acid-catalysed ring opening was observed. The solid-state conformation of 1-(cis-2′,6′-dimethylpiperidin-1′-yl)-2,4-dinitrobenzene has been defined by single-crystal X-ray crystallography. Triclinic crystals belong to the space group P–1 with a 8.165(1), b 7.865(1), c 11.148(1) Å, α 95.23(1), β 106.00(1), γ 92.63(1)˚ and Z 2. The structure was refined to a final R of 0.048 for the 2222 observed data. In the crystal, the phenyl ring adopts a slight boat conformation, while the amino and o-nitro groups are significantly twisted from the mean plane of the ring.

Metal Complexes of 1,3-Bis(Pyridin-2-yl)pyrazole: Spectral, Magnetic and Structural Studies

1995 ◽  
Vol 48 (6) ◽  
pp. 1071 ◽  
Author(s):  
AT Baker ◽  
DC Craig ◽  
G Dong ◽  
AD Rae
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Complex Cation ◽  
Tridentate Ligand ◽  
Structural Studies ◽  
Crystal Data ◽  
Octahedral Structure ◽  
Heterocyclic Ligands ◽  
X Ray ◽  
Donor Nitrogen

Bis(ligand)iron(II) and nickel(II) complexes of the asymmetric tridentate ligand 1,3-bis(pyridin-2-yl) pyrazole , L, have been prepared. The iron(II) complex, [FeL2] [PF6]2, is high-spin in the solid state over the temperature range 304-102 K, with a magnetic moment of 5.27 BM at room temperature. The crystal structure of bis (1,3-bis(pyridin-2-yl) pyrazole )iron(II) bis (hexafluorophosphate ) has been determined by single-crystal X-ray diffractometry. The compound crystallized as yellow prisms, with the structure being disordered in the tetragonal space group P421c with Z = 2. Crystal data a = b = 8.785(1) Ǻ, c = 19.804(6) Ǻ. The iron(II) centre is in an N6 environment, where the six donor nitrogen atoms are provided by the two tridentate heterocyclic ligands. The complex cation has an approximately octahedral structure exhibiting tetragonal compression. The observed Fe-N(pyridine) and Fe-N( pyrazole ) distances are 2.308(4) and 2.019(7) Ǻ respectively, with the Fe-N(pyridine) distance being the longest observed to date.

Structural studies in the iron(III)/chloride/α,α'-diimine system. III. Crystal structures of Tris(2,2'-bipyridine)iron(II) μ-Oxo-bis[trichloroferrate(III)] and of 'Compound A', μ-Oxo-bis[cis-chlorobis(1 ,10-phenanthroline)iron(III)] chloride solvate

1983 ◽  
Vol 36 (10) ◽  
pp. 2057 ◽  
Author(s):  
PC Healy ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Ionic Species ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Compound A ◽  
X Ray

The crystal structure of [Fe(bpy)3] [CI3FeOFeCI3] (1) has been determined by single-crystal X-ray diffraction at 295 K, and refined by least squares to a residual of 0.058 for 2002 'observed' reflections. Crystals are monoclinic, P21/c, a 9.616(3), b 26.264(6), c 13.821(7) Ǻ, β 99.68(2)°, Z4. In the cation, Fe-N distances range from 1.956(9) to 1 .989(10) Ǻ; in the anion, Fe-Cl distances range from 2.196(5) to 2.225(5) Ǻ. Fe-O distances are 1.763(11) and 1.740(11) Ǻ, and the Fe-O-Fe angle is 148.9(7)°. Recrystallization of 'compound A' from methanolic aqueous solution yields crystals with stoichiometry [{cis-Fe(phen)2Cl}2O]Cl2.nH2O( n ≈ 4.5) as established by structure determination (hampered by serious disorder); R is 0.09 for 749 'observed' reflections. Crystals are orthorhombic, Pcn2, a 18.05(1), b 13.83(1), c 10.481(6) Ǻ, Z 2. The Fe-N distances trans to each other are 2.12(3) and 2.13(3) Ǻ; Fe-N distances trans to Cl and O are 2.20(2) and 2.28(2) Ǻ, respectively. Fe-CI is 2.34(1) and Fe-O 1.787(6) A; Fe-O-Fe is 161(1)°. For crystals from aqueous solution, an isomorphous but larger unit cell is obtained [2754(7), cf. 2616(3) Ǻ3]; it is believed that this is a consequence of variable occupancy of the disordered solvent layers which lie parallel to bc between the ionic species.

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