The cyclometallation of benzoic acid and the X-ray crystal structure of [C5Me5Ir(O2CC6H4)(Me2SO)]

1985 ◽  
pp. 770 ◽  
Author(s):  
Jonathan M. Kisenyi ◽  
Javier A. Cabeza ◽  
Arnold J. Smith ◽  
Harry Adams ◽  
Glenn J. Sunley ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
X Ray

Synthesis and Crystal Structure of a Fe(II,III) Complex with 2-(4΄-Chlorine-benzoyl)-benzoic acid and 3-(2-Pyridyl)pyrazole

2013 ◽  
Vol 634-638 ◽  
pp. 2592-2595
Author(s):  
Qing Wei Wang ◽  
Ting Feng Lu ◽  
Jia Guo ◽  
Xiu Mei Li
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Organic Complex ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Elemental Analyses ◽  
Metal Organic Complex ◽  
Metal Organic

A new metal-organic complex FeII2FeIII2(cbba)4(L)6 (Hcbba = 2-(4΄-chlorine-benzoyl) benzoic acid, L = 3-(2-pyridyl)pyrazole) 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses, TG and IR spectroscopy. The compound crystallizes in monoclinic, space group Cc with a = 17.729(5), b = 15.919(5), c = 33.650(5) Å, β = 92.058(5)°, V = 9491(4) Å3, C104H68Cl4Fe4N18O12, Mr = 2126.96, Dc = 1.489 g/cm3, μ(MoKα) = 0.786 mm1, F(000) = 4344, Z = 4, the final R = 0.0559 and wR = 0.1122 for 12093 observed reflections (I > 2(I)).

Synthesis and Crystal Structure of a Novel Copper Complex Cu(Phen)(C8H7O2) 2

2011 ◽  
Vol 279 ◽  
pp. 132-135
Author(s):  
Ping Xia
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
Coordination Sphere ◽  
Copper Complex ◽  
Title Compound ◽  
Complex Molecule ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Packing Interactions

Reactions of a freshly prepared Cu(OH)2×yH2O precipitate, 2-methyl benzoic acid with 1,10’-phenanthroline in C2H5OH/H2O afforded Cu(phen)(C8H7O2)2. The title compound was structurally characterized by X-ray diffraction methods. The unit of complex molecule was proposed 4+2 coordination sphere. In the crystal, molecules are connected by aryl π-π packing forming chains along [010] direction, the supramolecular double chains are further constructed two-dimension layers which parallel to (011) by π-π packing interactions.

scholarly journals Synthesis and crystal structures of 2-(ferrocenylcarbonyl)benzoic acid and 3-ferrocenylphthalide

2020 ◽  
Vol 76 (7) ◽  
pp. 1163-1167
Author(s):  
Uttam R. Pokharel ◽  
Jonathan T. Bergeron ◽  
Frank R. Fronczek
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
Sandwich Structure ◽  
Room Temperature ◽  
Crystal Packing ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Centrosymmetric Dimer ◽  
X Ray ◽  
Graph Set

The title compounds, 2-(ferrocenylcarbonyl)benzoic acid, [Fe(C5H5)(C13H9O3)], 1, and 3-ferrocenylphthalide [systematic name: 3-ferrocenyl-2-benzofuran-1(3H)-one], [Fe(C5H5)(C13H9O2)], 2, have been synthesized and structurally characterized by single-crystal X-ray diffraction. The crystal structure of compound 1 was solved recently at room temperature [Qin, Y. (2019). CSD Communication (CCDC deposition number 1912662). CCDC, Cambridge, England]. Here we report a redetermination of its crystal structure at 90 K with improved precision by a factor of about three. The molecular structures of both compounds exhibit a typical sandwich structure. In the crystal packing of compound 1, each molecule engages in intermolecular hydrogen bonding, forming a centrosymmetric dimer with graph-set notation R 2 2 (8) and an O...O distance of 2.6073 (15) Å. There are weak C—H...O and C—H...π interactions in the crystal packing of compound 2. The phthalide moiety in 2 is oriented roughly perpendicular to the ferrocene backbone, with a dihedral angle of 77.4 (2)°.

The crystal structure of Benzoic Acid: a redetermination with X-rays at room temperature; a summary of neutron-diffraction work at temperatures down to 5 K

1981 ◽  
Vol 157 (3-4) ◽  
Author(s):  
R. Feld ◽  
M. S. Lehmann ◽  
K. W. Muir ◽  
J. C. Speakman
Keyword(s):  
Crystal Structure ◽  
Benzoic Acid ◽  
Room Temperature ◽  
Carboxyl Groups ◽  
X Rays ◽  
Full Matrix ◽  
X Ray ◽  
Crystal Texture ◽  
Centrosymmetric Dimers ◽  
Profile Refinement

AbstractThe crystal structure of benzoic acid, CThe structure consists of centrosymmetric dimers [formula (1)], in which two molecules are linked by a pair of hydrogen bonds between their carboxyl groups. Better precision attaches to the X-ray results. Full-matrix refinement, on 1011 independent reflexions, converged atOwing to difficulties inherent in the crystal texture of benzoic acid, the neutron results were less satisfactory. Large single crystals were affected by twinning. Though the powder method avoids this difficulty, the structure, further confused by modulation, is rather too complicated for profile refinement. At 5 K however, the structure may be ordered, consisting wholly of dimers in the

A study on α-RuCl3 crystal structure by scanning tunneling microscopy

1989 ◽  
Vol 47 ◽  
pp. 30-31
Author(s):  
H.-J. Cantow ◽  
H. Hillebrecht ◽  
S. Magonov ◽  
H. W. Rotter ◽  
G. Thiele
Keyword(s):  
Crystal Structure ◽  
Density Distribution ◽  
Scanning Tunneling Microscopy ◽  
Electron Density ◽  
Structure Determination ◽  
Electron Density Distribution ◽  
Scanning Tunneling ◽  
Monoclinic Space Group ◽  
Tunneling Microscopy ◽  
X Ray

From X-ray analysis, the conclusions are drawn from averaged molecular informations. Thus, limitations are caused when analyzing systems whose symmetry is reduced due to interatomic interactions. In contrast, scanning tunneling microscopy (STM) directly images atomic scale surface electron density distribution, with a resolution up to fractions of Angstrom units. The crucial point is the correlation between the electron density distribution and the localization of individual atoms, which is reasonable in many cases. Thus, the use of STM images for crystal structure determination may be permitted. We tried to apply RuCl3 - a layered material with semiconductive properties - for such STM studies. From the X-ray analysis it has been assumed that α-form of this compound crystallizes in the monoclinic space group C2/m (AICI3 type). The chlorine atoms form an almost undistorted cubic closed package while Ru occupies 2/3 of the octahedral holes in every second layer building up a plane hexagon net (graphite net). Idealizing the arrangement of the chlorines a hexagonal symmetry would be expected. X-ray structure determination of isotypic compounds e.g. IrBr3 leads only to averaged positions of the metal atoms as there exist extended stacking faults of the metal layers.

X-ray Crystal Structure of ?9-THC-tosylate

Planta Medica ◽  
2008 ◽  
Vol 74 (03) ◽  
Author(s):  
W Gul ◽  
P Carvalho ◽  
D Slade ◽  
M Avery ◽  
JR Duchek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
X Ray

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

Single Crystal Growth of High-Pressure Phases of Ice and Salt Hydrate Far Below the Original Melting Point by Mixing Alcohol: Crystal Structure Determination of Magnesium Chloride Heptahydrate

2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Growth Technique ◽  
Salt Hydrate ◽  
X Ray

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.

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