Search

ABSTRACT: The chemical 1-(6-Aminopyridin-2-yl) -3-(4-nitrophenyl) urea abbreviated as (APNU) were synthesized by using diamino pyridine and 4-nitrophenylisocyanate, the synthesized crystal crystallizes in Triclinic system with Pī Space group, with parameters as a = 7.138 (4), b = 7.626 (5), c = 15.261 (10), α=80. 040° (12) β = 89.480° (14), γ=86. 653° (13) and volume V = 816.79 (13) Å3. Single crystal XRD reveals that the versatile sensor having N-H ... O and N ... O interactions which imparts more stabilization to the molecule, that was proved by FT-IR, Raman, NMR and mass spectral studies. The optimized molecular structure, vibrational analysis, electronic properties of title compound was calculated by using density functional theory (DFT) Method. The structure of the synthesized compound resembles with active NAMPT (Nicotinamide Phosphoribosyl transferase) protein to investigate the bio molecular interactions. This resemblance is helpful in calculating the activities of newly designed inhibitors on the basis of docking scores through Molecular docking studies.

The molecules of the title compound, C15H14N2O3, possesses crystallographically imposed twofold rotational symmetry, so the asymmetric unit contains one half-molecule. The fused-ring system deviates significantly from planarity; the planes of the five- and six-membered rings are twisted with respect to each other by 3.0 (1)°. In the crystal, weak C—H...O hydrogen bonds link molecules related by translation in [010] into chains.

The molecular structure of the title compound, C14H18Br2N2O2, has one half-molecule in the asymmetric unit. The molecule has a crystallographic inversion centre in the middle of the benzene ring. The C—C—N—C torsion angle between the benzene ring and the bromoamide group is 149.2 (7)°. The crystal is stabilized by a strong intermolecular N—H...O bond and weak C—H...O interactions. These contacts give rise to a three-dimensional network.

In the title compound, C15H15NO, the dihedral angle between the benzene rings is 2.25 (2)°. The C—C—C—O atoms of the propanol side chain are in a gauche conformation [torsion angle = −60.5 (2)°]. In the crystal, O—H...O hydrogen bonds link the molecules into C(2) chains propagating in [100]. The O-bonded H atom is disordered over two sites of equal occupancy.

In the title compound C14H14BrNO3, the coumarin ring system is almost planar (r.m.s. deviation = 0.008 Å) and an intramolecular C—H...O interaction generates an S(6) ring. In the crystal, molecules are linked by N—H...O hydrogen bonds, with the C=O unit of the coumarin ring system acting as the acceptor group, generating [010] C(8) chains. The chain connectivity is reinforced by two C—H...O interactions.

In the title compound, C14H10BrF3O4, the coumarin ring system is almost plannar (r.m.s. deviation = 0.025 Å) and a short C—H...F contact occurs. The propanoate fragment is orientated almost perpendicular to the ring [dihedral angle = 71.80 (12)°]. In the crystal, molecules are linked by C—H...O hydrogen bonds, generating [100] chains.

Polymers are highly promising materials for capturing carbon dioxide (CO 2 ), a greenhouse gas. Hence in this work, we prepared phyllosilicate supported mesoporous polymer via reversible addition-fragmentation chain transfer (RAFT) polymerisation, which is the one among the controlled radical polymerisation. The mesoporous material anchored on dodecanethiol trithiocarbonate acts as a chain transfer agent (CTA) for the polymerisation of chloromethyl styrene and further conversion to quaternary ammonium compound which is effective to trap CO 2 using tertiary amine. The synthesised porous phyllosilicate/polymer nanocomposites have been characterised by using various analytical tools. The CO 2 sorption experiments were carried out by passing CO 2 onto the synthesised porous phyllosilicate/polymer nanocomposites. The sorption kinetics was monitored by X-Ray photoelectron spectroscopy (XPS) and Fourier-transform infrared spectroscopy (FT-IR) spectra in the presence of carbonate were obtained by reaction of quaternary ammonium hydroxide and CO 2 . The phyllosilicate anchored macromolecular CTA (macro-CTA) and the surface-initiated polymer nanocomposites encompassed apparent surface areas of 94.5 and 26.8 m 2 g -1 , respectively. In addition, the total pore volumes calculated for the macro-CTA and polymer were found to be 0.27 and 0.095 cm 3 g -1 , while the average pore sizes were 14.24 and 11.46 nm, respectively. The CO 2 sorption capacity of the phyllosilicate/polymer nanocomposites, monitored at different temperatures, is the fastest for 25°C but slower for the sample treated at 50°C which may due to the dipole and quadrupole interaction.

We report rhodamine based fluorophore derivative for the stable dispersion of single-walled carbon nanotubes (SWCNTs), which can afford better fluorescent label to carbon nanotubes (CNTs). The nanotubes-fluorophore conjugates are helpful in achieving stable dispersion in polar and non-polar solvents with intense fluorescence. The product was characterized through NMR, Mass spectrometry, Raman, XPS, SEM, AFM and Fluorescence measurements. The formation of SWCNT-g- Rhodamine was confirmed by the presence of D and G bands in Raman spectrum. The alkyl and aryl groups in the range of 14.8, 17.6, 38.1 and 96.3 ppm confirms the grafting of the nanocomposite through NMR. The morphological studies were carried out intensively for analyzing SWCNTs stable dispersion and the results from EDAX measurements shows the elements weight% of C: 35.09 and N: 30.1 concludes that SWCNTs are completely grafted onto rhodamine derivatives. The application of SWCNTs fluorophore conjugates were analyzed by cell viability studies using MTT assay and exhibits less toxic compare to other functionalized CNTs. The viability of percentage increases with decrease in the concentration of SWCNT-COCl with 91.7% of live cells even after 24 h at a concentration of 250 μg for SWCNT-g-Rhodamine. The fluorescent images obtained during viability analysis shows enhanced fluorescence for living cells in case of SWCNT-g-Rhodamine compared to SWCNT-COCl, which clearly shows the utility of decorating nanotubes with fluorophore. This research work further extends its application for molecular sensing and other biological process.

The mol-ecules of the title compound, C15H14N2O3, possesses crystallographically imposed twofold rotational symmetry, so the asymmetric unit contains one half-mol-ecule. The fused-ring system deviates significantly from planarity; the planes of the five- and six-membered rings are twisted with respect to each other by 3.0 (1)°. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules related by translation in [010] into chains.

The mol-ecular structure of the title compound, C(14)H(18)Br(2)N(2)O(2), has one half-mol-ecule in the asymmetric unit. The mol-ecule has a crystallographic inversion centre in the middle of the benzene ring. The C-C-N-C torsion angle between the benzene ring and the bromo-amide group is 149.2 (7)°. The crystal is stabilized by a strong inter-molecular N-H⋯O bond and weak C-H⋯O inter-actions. These contacts give rise to a three-dimensional network.

In the title compound, C(15)H(15)NO, the dihedral angle between the benzene rings is 2.25 (2)°. The C-C-C-O atoms of the propanol side chain are in a gauche conformation [torsion angle = -60.5 (2)°]. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into C(2) chains propagating in [100]. The O-bonded H atom is disordered over two sites of equal occupancy.

In the title compound C(14)H(14)BrNO(3), the coumarin ring system is almost planar (r.m.s. deviation = 0.008 Å) and an intra-molecular C-H⋯O inter-action generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, with the C=O unit of the coumarin ring system acting as the acceptor group, generating [010] C(8) chains. The chain connectivity is reinforced by two C-H⋯O inter-actions.

In the title compound, C(14)H(10)BrF(3)O(4), the coumarin ring system is almost plannar (r.m.s. deviation = 0.025 Å) and a short C-H⋯F contact occurs. The propano-ate fragment is orientated almost perpendicular to the ring [dihedral angle = 71.80 (12)°]. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, generating [100] chains.