ABSTRACT
In this study, we have synthesized and elucidated the structure of the H1 histamine antagonist, 2-(1-methylpiperidin-4-ylidene)-4,7-diazatricyclo[8.4.0.0((3,7))]tetradeca-1(14),3,5,10,12-pentaene-6-carbaldehyde in the solution and solid-state. We have also studied the thermal dilapidation of the compound. Solution structure analysis was achieved by employing NMR spectroscopy including 2D experiments NOESY, HSQC and HMBC, while solid state investigations were undertaken using SXRD, PXRD, TGA, DSC, and IR spectroscopy. For the first time the single crystal structure of alcaftadine has now been solved. Crystallographic data are as follows: monoclinic, Cc, a=11.5694(6)Å, b=14.5864(6)Å, c=10.2688(4)Å, α=90°, ß=111.793(3)°, γ=90°, V=1609.07(13)Å(3), Z=4. The Hirshfeld surface analyses also have been performed using the crystal structure.
Subject(s)
Benzazepines/chemistry , Histamine H1 Antagonists/chemistry , Imidazoles/chemistry , Benzazepines/chemical synthesis , Calorimetry, Differential Scanning , Crystallography, X-Ray , Histamine H1 Antagonists/chemical synthesis , Imidazoles/chemical synthesis , Magnetic Resonance Spectroscopy , Models, Molecular , ThermogravimetryABSTRACT
The title compound, C(76)H(80)O(16), is a macrocyclic structure. This novel resorcin[4]arene derivative has (meth-oxy-carbon-yl)meth-oxy 'head' groups on the upper rim. The compound has a C(2v) 'boat' geometry and there are a range of C-Hâ¯O contacts in the crystal structure.
ABSTRACT
The title compound, C(84)H(112)O(36), has a macrocyclic structure. It has 12 (meth-oxy-carbon-yl)meth-oxy 'head groups' in the upper rim and exhibits a flattened boat geometry. Intra-molecular C-Hâ¯O hydrogen bonds occur. In the crystal, inter-molecular C-Hâ¯O contacts occur. The 'head groups' and the pentyl 'feet' contain disordered (0.5:0.5 occupancy ratio) atoms.
ABSTRACT
The complete molecule of the title compound, C(56)H(80)O(8), is generated by a crystallographic inversion centre. The dihedral angle between the aromatic ring and the unique half of the molecule is 81.52â (16)°. There are no π-π inter-actions in the crystal structure.
ABSTRACT
The complete molecule of the title compound, C(16)H(18)N(4)S(2), is generated by crystallographic inversion symmetry. The dihedral angle between the phenyl ring and the thio-urea group is 52.9â (4)°. The crystal structure displays inter-molecular N-Hâ¯S hydrogen bonding, which generates sheets in the ab plane.
ABSTRACT
The title compound, C(60)H(76)Cl(4)O(12), has a macrocyclic structure and both the upper and lower rim have disordered atoms. There are no hydrogen bonds or π-π stacking inter-actions in the crystal.
ABSTRACT
The structural and spectroscopic properties of novel five-coordinated dimeric-Cu(II) system have been investigated. The biocidal activities of all eight compounds, ligands, cupric nitrate and standard drugs against six bacteria and three fungi were determined. The DNA interaction activity of complexes was studied using spectrophotometry and electrophoresis. The superoxide dismutase (SOD)-like activity of the complexes was compared with previously reported monomeric- and dimeric copper complexes. The results support the five-coordinated dimeric square pyramidal geometry for the quinolone-Cu(II) system.
Subject(s)
Anti-Bacterial Agents/pharmacology , Enzyme Inhibitors/pharmacology , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/chemistry , Bacillus cereus/drug effects , Bacillus subtilis/drug effects , Enzyme Inhibitors/chemical synthesis , Enzyme Inhibitors/chemistry , Escherichia coli/drug effects , Kinetics , Microbial Sensitivity Tests , Salmonella typhi/drug effects , Schiff Bases , Serratia marcescens/drug effects , Staphylococcus aureus/drug effects , Structure-Activity RelationshipABSTRACT
Iron(III) have been combined to well known quinolones (ciprofloxacin) and some Schiff bases with the help of coordination approach. Characterization of these compounds have been done using elemental analysis, magnetic measurements, thermogravimetric analysis, IR, UV-VIS, (1)H NMR and (13)C NMR spectral investigation. Analytical studies suggest that the iron(III)-quinolone complexes assume a six-coordinated dimeric distorted octahedral geometry. All the compounds show a good antibacterial activity against broad range of bacteria like Bacillus cereus, Staphylococcus aureus, Escherichia coli, Bacillus subtilis, Salmonella typhi and Serratia marcescens, whereas no significant inhibition towards growth of fungal strains like Aspergillus Niger, Aspergillus flavus and Lasiodiplodia theobromae. Analyses of all these compounds show effective sperm herring DNA inhibition.
Subject(s)
Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/pharmacology , DNA/metabolism , Iron/chemistry , Absorption , Microbial Viability/drug effects , Molecular Structure , Spectrum Analysis , TitrimetryABSTRACT
Five novel coordinated complexes of iron(II) with ciprofloxacin and neutral bidentate ligands have been prepared and characterized using elemental analyses, magnetic measurements, IR spectra, UV-VIS spectral, thermogravimetric analyses, 1H-NMR and 13C-NMR. The antimicrobial activity of the individual ligands, metal salt and metal complexes with respect to Bacillus subtilis, Escherichia coli, Bacillus cereus, Staphylococcus aureus, Salmonella typhi, Serratia marcescens, Aspergillus niger, Aspergillus flavus and Lasiodiplodia theobromae were evaluated by the agar-plate technique in comparison to reference standard drugs (ofloxacin, levofloxacin and fluconozole). Binding of the complexes to DNA was studied and is discussed.
Subject(s)
Iron Compounds/chemical synthesis , Iron/chemistry , Magnetic Resonance Spectroscopy/methods , Spectrophotometry, Infrared/methods , Spectrophotometry, Ultraviolet/methods , Anti-Infective Agents/pharmacology , Aspergillus/metabolism , Bacillus cereus/metabolism , Bacillus subtilis/metabolism , Escherichia coli/metabolism , Iron Compounds/chemistry , Models, Chemical , Salmonella typhi/metabolism , Serratia marcescens/metabolism , Staphylococcus aureus/metabolismABSTRACT
Complexes of Mn(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) with the Schiff bases salicylidene-o-aminothiophenol (H2L) and thiophene-o-carboxaldeneaniline (SB) have been synthesized and characterized by elemental analyses, magnetic measurements, thermogravimetric analyses as well as infrared spectra and reflectance spectra. The nature of the bonding has been discussed on the basis of IR spectral data. Magnetic susceptibility measurements and electronic spectral data suggest a six-coordinated octahedral structure for these complexes. The complexes of Mn(II), Co(II), Ni(II), Cu(II) are paramagnetic, while Zn(II) and Cd(II) are diamagnetic in nature. The complexes were tested for their antimicrobial activities against Salmonella typhi, Escherichia coli and Serratia marcescens using the "Disc Diffusion Method". The results are compared with the standard drug (tetracycline) and show moderate activity.
Subject(s)
Drug Evaluation, Preclinical , Microbial Sensitivity Tests/methods , Nitrogen/chemistry , Oxygen/chemistry , Schiff Bases/chemistry , Spectrophotometry, Infrared/methods , Sulfur/chemistry , Tetracycline/chemistry , Anti-Infective Agents , Models, Chemical , Protein Binding , Recombinant Proteins/chemistry , Spectrophotometry , Thermogravimetry/methods , Transition ElementsABSTRACT
Oxovanadium(IV) complexes have been synthesized and characterized the general composition [VOL(A)], where H2L = salicylidene-o-aminothiophenol A1 = bis(benzylidene)ethylenediamine, A2 = bis(acetophenone)ethylenediamine, A3 = 2,2'-bipyridylamine, A4 = bis(benzylidene) - 1,8-diaminonaphthalene, A5 = thiophene-o-carboxaldeneaniline and A6 = thiophene-o-carboxaldene-p-anisidine. Spectral studies indicate that the oxovanadium(IV) complexes assume a six-coordinate octahedral geometry. The antibacterial activities of the complexes against Salmonella typhi, Escherichia coli and Serratia mercescens are higher as compared to the free ligands, vanadyl sulphate, and the control (DMSO) but of moderate activity as compared to the standard drug (tetracycline).
