scholarly journals Crystallographic and spectroscopic characterization of (R)-O-acetylmandelic acid

2016 ◽  
Vol 72 (7) ◽  
pp. 901-903
Author(s):  
Cady Cirbes ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Mandelic Acid ◽  
Phenylacetic Acid ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylic Acid Group ◽  
Donor Acceptor

The title compound [systematic name: (R)-(−)-2-acetoxy-2-phenylacetic acid], C10H10O4, is a resolved chiral ester derivative of mandelic acid. The compound contains an acetate group and a carboxylic acid group, which engage in intermolecular hydrogen bonding, forming chains extending parallel to [001] with a short donor–acceptor hydrogen-bonding distance of 2.676 (2) Å.

scholarly journals Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid

2019 ◽  
Vol 75 (4) ◽  
pp. 524-528
Author(s):  
George L. Diehl III ◽  
Lisa Je ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzoic Acid ◽  
Nitro Group ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Donor Acceptor ◽  
Graph Set

The title compounds, both C8H4F3NO4, represent two isomers of nitro trifluoromethyl benzoic acid. The compounds each contain a nitro functionality para to the carboxylic acid group, with the trifluoromethyl substituent ortho to the acid group in the 2-isomer and ortho to the nitro group in the 3-isomer. The regiochemistry with respect to the trifluoromethyl group results in steric interactions that rotate the carboxylic acid group or the nitro group out of the aromatic plane in the 2- and 3-isomer, respectively. Each molecule engages in intermolecular hydrogen bonding, forming head-to-tail dimers with graph-set notation R 2 2(8) and donor–acceptor hydrogen-bonding distances of 2.7042 (14) Å in the 2-isomer and 2.6337 (16) in the 3-isomer. Recrystallization attempts did not yield untwinned crystals.

scholarly journals Crystallographic and spectroscopic characterization of racemic Mosher's Acid

2020 ◽  
Vol 76 (7) ◽  
pp. 1143-1145
Author(s):  
Carolyn Z. Savich ◽  
Joseph M. Tanski
Keyword(s):  
Carboxylic Acid ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Compound C ◽  
Unit Form ◽  
Derivatizing Agent ◽  
Donor Acceptor ◽  
Group A ◽  
Mosher’S Acid

The title compound, C10H9F3O3, represents the structure of racemic Mosher's Acid (systematic name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid), a carboxylic acid that when resolved can be employed as a chiral derivatizing agent. The compound contains a carboxylic acid group, a methoxy group and a trifluoromethyl substituent on an asymmetric benzylic carbon atom. The two independent molecules in the asymmetric unit form a non-centrosymmetric homochiral dimer via intermolecularly hydrogen-bonded head-to-tail dimers with graph-set notation R 2 2(8) and donor–acceptor hydrogen-bonding distances of 2.6616 (13) and 2.6801 (13) Å.

The Crystal and Molecular Structure of the 1:1 Adduct Hydrate of Pyrazine-2,3-dicarboxylic Acid with 1,1-Diethylurea

2000 ◽  
Vol 53 (12) ◽  
pp. 999 ◽  
Author(s):  
Graham Smith ◽  
Colin H. L. Kennard
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Dicarboxylic Acid ◽  
Lattice Water Molecule ◽  
Crystal And Molecular Structure ◽  
Acid Group ◽  
X Ray Diffraction ◽  
Carboxylic Acid Group ◽  
X Ray ◽  
Bonding Interaction

The adduct hydrate of 1,1-diethylurea with pyrazine-2,3-dicarboxylic acid, [(C6H4N2O4)(C5H12N2O)].H2O has been prepared and characterized using low-temperature single-crystal X-ray diffraction methods. A primary asymmetric cyclic hydrogen-bonding interaction, similar to those found in other adducts of 1,1-diethylurea with the nitro-substituted aromatic acids, was found between the amide group of the substituted urea and one carboxylic acid group of the acid. Further peripheral hydrogen-bonding associations involving both the f irst and the second carboxylic acid groups, urea and the lattice water molecule result in a ribbon polymer structure.

scholarly journals Crystal structure of [propane-1,3-diylbis(piperidine-4,1-diyl)]bis[(pyridin-4-yl)methanone]–4,4′-oxydibenzoic acid (1/1)

2014 ◽  
Vol 70 (9) ◽  
pp. o1022-o1022
Author(s):  
Emily M. Low ◽  
Robert L. LaDuca
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Three Dimensional ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Crystal Direction ◽  
Oriented Parallel ◽  
Supramolecular Chains ◽  
Dimensional Crystal

In the title co-crystal, C25H32N4O2·C14H10O5, molecules are connected into supramolecular chains aligned along [102] by O—H...N hydrogen bonding. These aggregate into supramolecular layers oriented parallel to (20-1) by C—H...O interactions. These layers then stack in anABABpattern along theccrystal direction to give the full three-dimensional crystal structure. The central chain in the dipyridylamide has ananti–anticonformation. The dihedral angle between the aromatic ring planes is 29.96 (3)°. Disorder is noted in some of the residues in the structure and this is manifested in two coplanar dispositions of one statistically disordered carboxylic acid group.

scholarly journals Crystal structure of di-μ-benzato-κ4O:O′-bis[aqua(benzato-κO)(benzato-κ2O,O′)(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)europium(III)]–benzoic acid (1/2)

2014 ◽  
Vol 70 (9) ◽  
pp. m328-m329
Author(s):  
Frankie White ◽  
Richard E. Sykora
Keyword(s):  
Hydrogen Bonding ◽  
Benzoic Acid ◽  
Intramolecular Hydrogen Bonding ◽  
Acid Group ◽  
Inversion Symmetry ◽  
Intermolecular Hydrogen Bonding ◽  
Crystalline Compound ◽  
Carboxylic Acid Group ◽  
Intramolecular Hydrogen ◽  
The Eu

The title compound, [Eu2(C7H5O2)6(C15H11N3)2(H2O)2]·2C7H6O2, is a co-crystalline compound containing a dinuclear EuIIIcoordination complex with inversion symmetry co-crystallized with benzoic acid in a 1:2 ratio. The Eu3+ions within the dimer are nine-coordinate, containing one tridentate terpyridine, one water, and four benzoate ions, two of which bridge the Eu3+ions. Of the four benzoate ligands coordinating to each Eu3+position, three distinct coordination modes [monodentate, bidentate–chelating, and bidentate–bridging (twice)] are observed. Within the crystal, there are two additional uncoordinating benzoic acid molecules per dinuclear complex. Within the dimer, the water bound to each Eu3+ion participates in intramolecular hydrogen bonding with a coordinating benzoate. Additionally, the carboxylic acid group on the benzoic acid participates in intermolecular hydrogen bonding with a benzoate ligand bound to the dimer complex.

scholarly journals Characterization of autohydrolysis aspen (P. tremuloides) lignins. Part 3. Infrared and ultraviolet studies of extracted autohydrolysis lignin

1979 ◽  
Vol 57 (19) ◽  
pp. 2603-2611 ◽  
Author(s):  
Miranda G. S. Chua ◽  
Morris Wayman
Keyword(s):  
Carboxylic Acid ◽  
Blocking Agent ◽  
Acid Group ◽  
Hydroxybenzoic Acid ◽  
Aspen Wood ◽  
Carboxylic Acid Group ◽  
Carboxylic Acid Groups ◽  
Acidic Conditions ◽  
Lignin Macromolecule

Infrared and ultraviolet studies of the lignins extracted from extractive-free aspen wood meal after autohydrolysis at 195 °C for periods varying from 5 min to 2 h indicated that these lignins were functionally modified and different from aspen milled wood lignin. The extracted lignins changed from a guaiacyl–syringyl type lignin to a syringyl-deficient type lignin with increasing autohydrolysis time. Extracted lignins were also observed to contain unconjugated β-ketone groups and conjugated carboxylic acid groups. It is proposed that the unconjugated β-ketone groups resulted from the depolymerization reactions of the lignin macromolecule under acidic conditions which formed monomeric, dimeric, and oligomeric/polymeric lignin fragments with Hibbert's ketone side chains. The conjugated carboxylic acid group observed to be present was attributed to p-hydroxybenzoic acid. p-Hydroxybenzoic acid has been postulated as contributing to the extractability of aspen lignin by acting as a blocking agent in the repolymerization of lignin fragments to form insoluble lignin.

Synthesis and Characterization of Novel Monoazo Naphthalimide Disperse Dyes Containing Carboxylic Acid Group with High Heat Fastness Properties

2008 ◽  
Vol 55 (6) ◽  
pp. 1300-1307 ◽  
Author(s):  
Moosa Sadeghi Kiakhani ◽  
Kamaladin Gharanjig ◽  
Mokhtar Arami ◽  
Javad Mokhtari ◽  
Niyaz Mohammad Mahmoodi
Keyword(s):  
Carboxylic Acid ◽  
Acid Group ◽  
High Heat ◽  
Synthesis And Characterization ◽  
Disperse Dyes ◽  
Fastness Properties ◽  
Carboxylic Acid Group
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