Tetrakis[μ2-5-nitro-2-(phenylsulfanyl)benzoato-κ2 O:O′]bis[(acetonitrile-κN)copper(II)]

The title compound, [Cu2(μ2-O2CC12H8NO2S)4(CH3CN)2], consists of a dinuclear and centrosymmetric complex based on two CuII atoms coordinated by four 5-nitro-2-phenylsulfanyl-benzoate anions and two acetonitrile ligands. Each benzoate anion acts as a bis-monodentate ligand while each acetonitrile acts as a monodentate ligand, leading to a square-pyramidal NO4 coordination environment for each CuII atom with the acetonitrile N atom at the apex. The intramolecular Cu...Cu distance in the dimer is 2.6478 (3) Å. The cohesion of the crystal structure is ensured by (phenyl)C—H...O(nitro) hydrogen bonds and (phenyl)C—H...π interactions.

Ion Exchange of Benzoate in Ni-Al-Benzoate Layered Double Hydroxide by Amoxicillin

The Ni-Al-NO3 layered double hydroxide (LDH) compound has been intercalated with benzoate anion through an anion exchange process for amoxicillin drug adsorption. The purpose of this research is to synthesize Ni-Al-NO3, ion exchange with benzoate anion to form Ni-Al-Benzoate, and then applying it as an adsorbent of amoxicillin. The adsorption process was carried out using the batch technique. The materials synthesized in this study were characterized by Fourier Transform Infrared Spectroscopy (FT-IR), X-ray ray diffraction (XRD), and Thermogravimetric Analysis/Differential Thermal Analysis (TGA/DTA). The exchange of benzoate in Ni-Al-Benzoate LDH by amoxicillin was followed by UV-Vis spectrophotometry. The pH, LDH amount, and contact time are optimized. The adsorption of amoxicillin by Ni-Al-Benzoate is fit to the pseudo-second-order kinetics model, with an adsorption capacity of 40 mg/ g. The results showed that anion exchange was successfully carried out between benzoate anion and amoxicillin.

Crystal structure of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate

The asymmetric unit of the co-crystal salt 2-amino-6-bromopyridinium 2,3,5,6-tetrafluorobenzoate, C5H6BrN2 +·C7HF4O2 −, contains one pyridinium cation and one benzoate anion. In the crystal, the aminopyridinium cationic unit forms two hydrogen bonds to the benzoate oxygen atoms in an R 2 2(8) motif. Two pyridinium benzoate units are hydrogen bonded through self-complementary hydrogen bonds between the second amine hydrogen and a carboxylate O with a second R 2 2(8) motif to form a discrete hydrogen-bonded complex containing two 2-amino-6-bromopyridinium moieties and two 2,3,5,6-tetrafluorobenzoate moieties. The 2-amino-6-bromopyridinium moieties π-stack in a head-to-tail mode with a centroid–centroid separation of 3.7227 (12) Å and adjacent tetrafluorobenzoates also π-stack in a head-to-tail mode with a centroid–centroid separation of 3.6537 (13) Å.

Cooperativity between hydrogen- and halogen bonds: the case of selenourea

A combined experimental/theoretical investigation on the cooperativity between hydrogen- and halogen bonds is presented. In this study, it is shown that selenourea can interact at the same time with a benzoate anion and a polarized iodine, with the two interactions influencing and enhancing each other.

Bis{μ-ethyl 4-[(4-hydroxyphenyl)diazenyl]benzoate-κO}bis[aqua(4-{[4-(ethoxycarbonyl)phenyl]diazenyl}phenolato-κO){ethyl 4-[(4-hydroxyphenyl)diazenyl]benzoate-κO}potassium]

The two potassium cations in the dinuclear molecule of [K2{OC(C14H13ON2)O}2{OC(C14H13ON2)OH}4(H2O)2] are connected through a double bridge involving two centrosymmetrically related ethyl-4-(phenylazophenol)benzoate ligands. Each cation is also bound to a further non-bridging ligand, one ethyl-4-(phenylazophenolate)benzoate anion and a water molecule, leading to a distorted fivefold coordination. The two uncharged ligands are almost planar, whereas in the anionic ligand the aromatic systems display a dihedral angle of 21.14 (11)°. A supramolecular network formed by hydrogen-bonding interactions between phenolate anions, phenol groups and water molecules connects the dimeric species along [001]. Hirshfeld surface calculations revealed the following contributions related to intermolecular interactions: C...H (24.4%), O...H (13.2%) and N...H (7.4%). The azo fragment is disordered over two sets of sites [occupancy ratio 0.824 (15):0.176 (5)].

Piperazine-1,4-diium bis(4-nitrobenzoate) dihydrate

The asymmetric unit of the title molecular salt, C4H12N22+·2C7H4NO4−·2H2O, is composed of half a protonated piperazine dication, located about an inversion center, a benzoate anion and a water molecule of crystallization. In the crystal, the various units are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, forming a supramolecular three-dimensional framework.

Crystal structure ofrac-4-[2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol benzoate

The title salt, C13H22NO3+·C7H5O2−, comprises one salbutamol cation {systematic name: 4-[2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenol} and a benzoate anion. The cation shows disorder of the hydroxy group [occupancy ratio 0.738 (3):0.262 (3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30 (8)°] is linked to the salbutamol cation by a medium-strength O—H...O hydrogen bond. Other intermolecular O—H...O and N—H...O hydrogen bonds of weaker nature give rise to [001] chains.