scholarly journals Syntheses, spectral characterization, single crystal X-ray diffraction and computational in gas and solid phases studies on chloro- acetic acid N′-(2- hydroxy-naphthalen- 1-ylmethylene)- N- [4-(3-methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazide

2020 ◽  
Vol 2 (4) ◽  
Author(s):  
Tuncay Karakurt ◽  
Muharrem Dinçer ◽  
Alaaddin Cukurovali
Keyword(s):  
Acetic Acid ◽  
Single Crystal ◽  
Spectral Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solid Phases

Conformational Comparisons Between Phenoxyacetic Acid Derivatives in Adducts and in the Free Form

1999 ◽  
Vol 52 (7) ◽  
pp. 695 ◽  
Author(s):  
Graham Smith ◽  
Catherine J. Cooper ◽  
Veena Chauhan ◽  
Daniel E. Lynch ◽  
Simon Parsons ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Single Crystal ◽  
Free Acid ◽  
Molecular Complexes ◽  
The Other ◽  
Free Form ◽  
Phenoxyacetic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dichlorophenoxy Acetic Acid

Six molecular complexes containing the herbicidally active (2,4-dichlorophenoxy)acetic acid (2,4-d) and (2,4,5-trichlorophenoxy)acetic acid (2,4,5-t) have been prepared and studied by using single-crystal X-ray diffraction techniques. These adduct structures are 2,4-d with 4,4′-dipyridine (2 : 1 complex), and 2,4,5-t with respectively 5-nitroquinoline (1 : 1), 4,4′-dipyridine (2 : 1), 2-amino-2-thiazoline (1 : 1), 2-aminobenzothiazole (1 : 1) and 2-amino-5-ethyl-1,3,4-thiadiazole (1 : 1). The conformations of the phenoxyacetic acid molecules were found to be either synclinal (in three cases) or antiperiplanar (in the other three cases). A general review is also made about the conformational aspects of previously reported adducts of phenoxyacetic acid derivatives and how they compare to their free acid structures.

scholarly journals Structural Study of Three 1,2,4-triazole Derivatives Prepared by Oxidative Cyclization of Thiosemicarbazides

Proceedings ◽  
2018 ◽  
Vol 9 (1) ◽  
pp. 20
Author(s):  
Mirian Artime ◽  
Alfonso Castiñeiras ◽  
Isabel García-Santos ◽  
Manuel Saa
Keyword(s):  
Acetic Acid ◽  
Single Crystal ◽  
Structural Study ◽  
Supramolecular Assembly ◽  
Oxidative Cyclization ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triazole Derivatives

In the present research, 5,5-dimethyl-4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3-thione (1) was prepared by condensation from N-phenylhydrazinecarbothioamide, while 4-phenyl-5-(pyrazin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (2) and 2-((5-(pyridin-2-yl) -4H-1,2,4-triazol-3-yl)thio)acetic acid (3) was prepared by oxidative cyclization from 2-(amino(pyrazin-2-yl)methylene)-N-phenylhydrazine-1-carbothioamide and 2-(amino(pyridine-2-yl)methylene)hydrazine-1-carbothioamide, respectively. The three compounds have been well characterized and their molecular structures studied by single-crystal X-ray diffraction. The supramolecular assembly of each crystal has also been analyzed and discussed.

Molecular Cocrystals of Carboxylic Acids. XXXI Adducts of 2-Aminopyrimidine and 3-Amino-1,2,4-triazole with Heterocyclic Carboxylic Acids

1998 ◽  
Vol 51 (5) ◽  
pp. 403 ◽  
Author(s):  
Daniel E. Lynch ◽  
Tariq Latif ◽  
Graham Smith ◽  
Karl A. Byriel ◽  
Colin H. L. Kennard ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Carboxylic Acids ◽  
Powder Diffraction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Indole 3 Acetic Acid ◽  
Molecular Adducts

A series of molecular adducts of 2-aminopyrimidine and 3-amino-1,2,4-triazole with heterocyclic carboxylic acids have been prepared and characterized by using X-ray powder diffraction and in four cases by single-crystal X-ray diffraction methods. These four compounds are the (1 : 1) adducts of 2-aminopyrimidine with indole-3-acetic acid [(C4H5N3)(C10H9NO2)], N-methylpyrrole-2-carboxylic acid [(C4H5N3)(C6H7NO2)] and thiophen-2-carboxylic acid [(C4H5N3)(C5H4O2S)], and the (1 : 1) adduct of 3-amino-1,2,4-triazole with thiophen-2-carboxylic acid [(C2H4N4)(C5H4O2S)]. Other compounds described are the (1 : 1) adducts of 3-amino-1,2,4-triazole with indole-3-acetic acid and N-methylpyrrole-2-carboxylic acid.

A refinement analysis of the crystallography of the phospholipid, 1,2-dilauroyl-DL-phosphatidylethanolamine, and some remarks on lipid—lipid and lipid-protein interactions

1977 ◽  
Vol 354 (1677) ◽  
pp. 157-170 ◽  
Keyword(s):  
Electron Microscopy ◽  
Acetic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Protein Interactions ◽  
Halobacterium Halobium ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
Lipid Protein Interactions

A least-squares refinement analysis of atomic positional and thermal parameters in a single crystal of 1,2-dilauroyl-DL-phosphatidylethanolamine: acetic acid has been based on the X-ray diffraction intensities of 1132 independent reflexions, assessed by automatic microdensitometry. The final unweighted discrepancy index is 0.16 with e.s.ds of the bond lengths ranging from 0.02 to 0.12 A. The general features of our earlier, lessprecise analysis are confirmed. The close-packed arrangement of the phospholipid molecules is discussed in relation to electron microscopy and diffraction studies of the structures of membranes from Acholeplasma laidlawii and Halobacterium halobium.

scholarly journals Crystal structures of two solvates of (18-crown-6)potassium acetate

2016 ◽  
Vol 72 (12) ◽  
pp. 1757-1761 ◽  
Author(s):  
Phil Liebing ◽  
Ahmad Zaeni ◽  
Falk Olbrich ◽  
Frank T. Edelmann
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Crown Ether ◽  
Single Crystal ◽  
Potassium Acetate ◽  
Acetate Anion ◽  
X Ray Diffraction ◽  
Ladder Structure ◽  
X Ray ◽  
Acid Hydrate

The crystal and molecular strutures of two solvated forms of [K(18c6)]OAc (18c6 = 18-crown-6 = 1,4,7,10,13,16-hexaoxacyclooctadecane and OAc = acetate) were determined by single-crystal X-ray diffraction, namely (acetato-κ2O,O′)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O)potassium dihydrate, [K(CH3COO)(C12H24O6)]·2H2O (1) and (acetato-κ2O,O′)aqua(1,4,7,10,13,16-hexaoxacyclooctadecane-κ6O)potassium acetic acid monosolvate [K(CH3COO)(C12H24O6)(H2O)]·CH3COOH (2). In both compounds, the acetate anion is bonded to the potassium ion in a chelating fashion and the metal atom is consequently slightly displaced from the O6plane of the crown ether. In the crystals, O—H...O hydrogen bonds lead to a polymeric ladder structure in the dihydrate1, while the acetic acid hydrate2features inversion dimers.

Réduction de (+)-3-[di(alkylsulfanyl)méthylène]bornan-2-ones. Formation de complexes zinciques chiraux. Structure cristalline et dichroïsme circulaire

1997 ◽  
Vol 212 (8) ◽  
Author(s):  
A.-M. Lamazouère ◽  
J. Sotiropoulos ◽  
L. Dupont ◽  
G. Germain
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Circular Dichroism ◽  
Single Crystal ◽  
Zinc Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conjugated Systems ◽  
Exciton Interaction ◽  
Circular Dichroïsm

AbstractAccording to the structure of the reacting compound, two different splits occur, when reduction of a 3-[di(alkylsulfanyl)methylene] camphor is performed with zinc and acetic acid, giving either 3-(monoalkylsulfanylmethylene)-2-bornanones or tetrahedral zinc complexes of an intermediary 3-(thioalkylsulfanylmethylene)-2-bornanone. Circular dichroism shows exciton interaction between the two conjugated systems. Molecular structure of one of these complexes was carried out by single crystal X-ray diffraction methods. Crystals of C

Synthesis and Structures of (η3-Methallyl)palladium(II) Complexes with Phosphanylferrocenecarboxylic Ligands

2006 ◽  
Vol 71 (3) ◽  
pp. 279-293 ◽  
Author(s):  
Petr Štěpnička ◽  
Ivana Císařová
Keyword(s):  
Acetic Acid ◽  
Solid State ◽  
Carboxylic Acid ◽  
Single Crystal ◽  
Spectral Methods ◽  
Chelate Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solid State Structures

Di-μ-chlorobis{(η3-methallyl)palladium(II)} (1) reacts with two equivalents of 1'-(diphenylphosphanyl)ferrocene-1-carboxylic acid (Hdpf) and rac-[2-(diphenylphosphanyl)ferrocen-1-yl]acetic acid (rac-Hpfa) to give complexes with P-monodentate phosphanylcarboxylic ligands: [PdCl(η3-CH2C(Me)CH2)(L-κP)], L = Hdpf (2) and rac-Hpfa (4). Similar reactions with the corresponding carboxylate salts (Kdpf and Kpfa) afford, respectively, an ill-defined polymer formulated tentatively [{Pd(η3-CH2C(Me)CH2)(dpf)}n] (3) and the molecular chelate complex [Pd(η3-CH2C(Me)CH2)(pfa-κ2O,P)] (5), which crystallizes as a monohydrate. All compounds were studied by spectral methods (IR and NMR) and the solid-state structures of 2, 4, and 5·H2O were determined by single-crystal X-ray diffraction.

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.

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