Two crystal modifications for the product of the acetylation of 2-N-(2-fluorophenyl)iminocoumarin-3-carboxamide

1999 ◽  
Vol 214 (9) ◽  
Author(s):  
S. N. Kovalenko ◽  
V. N. Baumer ◽  
S. V. RusanovaI ◽  
V. P. Chernykh
Keyword(s):  
Structure Analysis ◽  
Title Compound ◽  
X Ray ◽  
Crystal Modifications ◽  
Non Equilibrium

AbstractThe title compound forms two kinds of crystals, depending on conditions of crystallisation. Both crystal modifications of the title compound were investigated by X-ray structure analysis and non-valence interactions calculations. It is found that the ‘fast non-equilibrium crystallised’ modification (

4-(Bromomethyl)benzophenone

2007 ◽  
Vol 63 (3) ◽  
pp. o1188-o1189 ◽  
Author(s):  
Wei-Jian Xu ◽  
Yang-Ling Zang ◽  
Guo-Liang Wu ◽  
Sheng-Pei Su ◽  
De-Yue Qiu
Keyword(s):  
Crystal Structure ◽  
Carbon Tetrachloride ◽  
Dihedral Angle ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Crystal Structure Analysis ◽  
X Ray ◽  
Compound C ◽  
Phenyl Rings

The title compound, C14H11BrO, was synthesized by the reaction of 4-methylbenzophenone and bromine in carbon tetrachloride. X-ray crystal structure analysis reveals that the benzene and phenyl rings form a dihedral angle of 59.53 (6)°, and the crystal packing is stabilized by intermolecular C—H...π interactions.

Boron Chelates and Boron-Metal Chelates, X [1]. 3-(2-Hydroxyphenyl)-2,2-diphenyl-1-oxa-3-azonia-2-borata-naphthalene-methanol (1/1): Synthesis, Spectroscopic Investigations and Crystal Structure

1982 ◽  
Vol 37 (11) ◽  
pp. 1450-1455 ◽  
Author(s):  
Rudolf Allmann ◽  
Eberhard Hohaus ◽  
Stanislaw Olejnik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Analysis ◽  
Title Compound ◽  
Chelate Ring ◽  
Boron Chelates ◽  
X Ray ◽  
Membered Chelate Ring ◽  
Compound C ◽  
Overall Ratio

The title compound, C25H20BNO2 · CH3OH, was examined by UV, IR, 1H, and 13C NMK spectroscopy as well as by thermogravimetry and X-ray structure analysis (Pbnb, a = 8.815, b = 17.309, c=28.992 Å, R= 5.5%). These investigations show the six-membered chelate ring (chelate A) to exist as formulated in [2] and not as a five-membered chelate ring B. One methanol molecule connects two chelate molecules by hydrogen bonds, resulting in an overall ratio of chelate to methanol of 1 : 1.

[1,4,2]Diazaphospholidine / [1,4,2]Diazaphospholidines

1988 ◽  
Vol 43 (11) ◽  
pp. 1481-1489 ◽  
Author(s):  
Ekkehard Fluck ◽  
Peter Kuhm ◽  
Heinz Riffel
Keyword(s):  
Ir Spectra ◽  
Structure Analysis ◽  
Title Compound ◽  
X Ray ◽  
New Compounds

Abstract Bis(diethylamino)phosphanylacetylen reacts with N.N′-dimethyl thiourea to give 2-diethyl-amino-1,4-dimethyl-3-methylene-[1,4,2]diazaphospholidine-5-thion (2) besides the [1,3,4]thiazaphospholidine (1). The latter compound is converted into 2 by heating. Reaction of 2 with various reagents yields other members of the title compound class. All new compounds are characterized by some reactions and their NMR and IR spectra. In addition, the results of an X-ray structure analysis of 2-diethylamino-l ,4-dimethyl-3-methylene-2-thioxo-[1,4,2]diazaphos-pholidine-5-thion (5) are reported.

(1aR,2aS,5aS,5bS)-Perhydro-4H-oxireno[3,4]cyclopenta[1,2-b]furan-4-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1359-o1360
Author(s):  
Christian Peifer ◽  
Melanie Tschertsche ◽  
Dieter Schollmeyer ◽  
Stefan Laufer
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Structure Analysis ◽  
Epoxide Group ◽  
X Ray ◽  
Compound C ◽  
Lactone Group

The structure of the title compound, C7H8O3, was determined in the course of our studies of the synthesis of cyclopenta[1,2-b]furan-4-one derivatives. The molecule has four chiral C atoms. The X-ray crystal structure analysis shows the compound to possess an epoxide group with an endo orientation with respect to the lactone group.

Die Kristallstruktur von Kalium-bis(hexamethylentetramin)-tris-(isothiocyanato)cuprat(II)-dihydrat, K[Cu(C6H12N4)2(NCS)3] · 2 H2O, einem trigonal-bipyramidalen Kupfer(II) -Komplex / The Crystal Structure of Potassium-bis(hexamethylenetetramine)-tris-(isothiocyanato) cuprate(II )-dihydrate, K[Cu(C6H12N4)2(NCS)3] · 2 H2O, a Trigonal Bipyramidal Cupric Complex

1981 ◽  
Vol 36 (5) ◽  
pp. 649-650 ◽  
Author(s):  
Joachim Pickardt
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Structure Analysis ◽  
Title Compound ◽  
X Ray ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Cupric Acetate

From an aqueous solution of cupric acetate containing an excess of KSCN and hexamethy- lenetetramine crystals of the title compound could be obtained. An X-ray structure analysis showed that the cuprate(II) anion has trigonal bipyramidal geometry. The three equatorial positions are occupied by NCS groups, the axial positions by the hexamethylenetetramine molecules

Synthesis and Structure of 1-Ethyl-2,4,5-triphenyl-1H-imidazole (Ethyl-Lophine)

2013 ◽  
Vol 68 (3) ◽  
pp. 245-249 ◽  
Author(s):  
Tim Peppel ◽  
Martin Köckerling
Keyword(s):  
Crystal Structure ◽  
Ionic Liquids ◽  
Structure Analysis ◽  
Title Compound ◽  
Organic Cations ◽  
X Ray ◽  
Microwave Assisted ◽  
Elemental Analyses ◽  
Thermal Measurements ◽  
Microwave Assisted Method

Ethyl-Lophine, 1-ethyl-2,4,5-triphenyl-1H-imidazole, C23H20N2, was synthesized as a precursor for large organic cations in ionic liquids using an improved microwave-assisted method. The title compound and a precursor compound were characterized by NMR, IR, and DSC thermal measurements, as well as elemental analyses. The crystal structure of ethyl-lophine was determined by singlecrystal X-ray structure analysis (triclinic, P1̄, a = 10:1137(3), b = 12:4935(4), c = 14:6351(4) Å , α = 98:182(2)°, β = 90:694(2)°, γ = 102:666(2)°, Z = 4, wR2 = 0:1030 for 611 refined parameters).

Synthesis and Structure Analysis of N1,N4,3,6-Tetramethyl-N1,N4-Diphenyl-1,4-Dihydro-1,2,4,5-Tetrazine-1,4-Dicarboxamide

2012 ◽  
Vol 36 (3) ◽  
pp. 178-180 ◽  
Author(s):  
Guo-Wu Rao ◽  
Qi Li ◽  
Zhen-Guo Zhao
Keyword(s):  
Single Crystal ◽  
Structure Analysis ◽  
Title Compound ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
X Ray

N1, N4,3,6-Tetramethyl- N1, N4-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide was prepared from 3,6-dimethyl-1,6-dihydro-1,2,4,5-tetrazine, bis(trichloromethyl) carbonate and N-methylaniline. Its structure was confirmed by single-crystal X-ray diffraction. This reaction yields the title compound rather than N1, N2,3,6-tetramethyl- N1, N2-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2- dicarboxamide. The central tetrazine ring of the title compound exhibits a boat conformation and is therefore not homoaromatic.

Darstellung und Struktur von [Ti(acac)3]ClO4 / Preparation and Structure of [Ti(acac)3]ClO4

1978 ◽  
Vol 33 (2) ◽  
pp. 142-145 ◽  
Author(s):  
U. Thewalt ◽  
T. Adam
Keyword(s):  
Structure Analysis ◽  
Title Compound ◽  
X Ray

The title compound has been obtained from acetylacetone, AgClCO4 and either π-C5H5TiCl3 or TiCl4. An X-ray structure analysis (R = 0.068) shows the cation to be octahedrally coordinated. The average values of the Ti-O distances and of the endocyclic O-Ti-O angles are 1.94 Å and 84.3°, respectively

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

Notizen: Molekülstruktur von Bis[tris(diäthylamido)-titano] -ferrocen / Molecular Structure of Bis[tris(diethylamido)-titano]-ferrocene

1975 ◽  
Vol 30 (7-8) ◽  
pp. 636 ◽  
Author(s):  
Ulf Thewalt ◽  
Dietmar Schomburg
Keyword(s):  
Molecular Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Mean Values ◽  
X Ray ◽  
Bond Lengths

The results of an X-ray structure analysis of the title compound prove the molecular structure proposed earlier to be correct. Mean values of bond lengths are Fe-C(π): 2.06, Ti-C(σ): 2.15, and Ti-N: 1.89 A.

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