S. Athimoolam
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View article: Synthesis, Quantum Chemical, Spectral, Optical, Thermal and Biological Studies on Sulfamethazine Single Crystal
Synthesis, Quantum Chemical, Spectral, Optical, Thermal and Biological Studies on Sulfamethazine Single Crystal Open
The single crystal of the pharmaceutical drug sulfamethazine has been grown using the slow evaporation method at ambient temperature. The analysis of the single crystal X-ray diffraction (XRD) data indicates that the grown crystal belongs …
View article: Investigating the Antiproliferative Activity of Novel 4‐Chloro‐8‐Nitro‐1,2‐Dihydro‐3‐Quinoline Acylhydrazones on Human Cervical Cancer Cell Lines
Investigating the Antiproliferative Activity of Novel 4‐Chloro‐8‐Nitro‐1,2‐Dihydro‐3‐Quinoline Acylhydrazones on Human Cervical Cancer Cell Lines Open
A new series of acyl hydrazones have been synthesized from 4‐chloro‐8‐nitro‐1,2‐dihydroquinoline‐3‐carbaldehyde. These compounds were characterized using various spectroscopic techniques. Density functional theoretical (DFT) studies were c…
View article: CCDC 2152296: Experimental Crystal Structure Determination
CCDC 2152296: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2152297: Experimental Crystal Structure Determination
CCDC 2152297: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2215707: Experimental Crystal Structure Determination
CCDC 2215707: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 683212: Experimental Crystal Structure Determination
CCDC 683212: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: (<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one
(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one Open
In the title compound, C 21 H 18 N 2 O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methylene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3 (1)°…
View article: CCDC 1980267: Experimental Crystal Structure Determination
CCDC 1980267: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2008476: Experimental Crystal Structure Determination
CCDC 2008476: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: (<i>E</i>)-5-(4-Chlorobenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one: crystal structure and Hirshfeld surface analysis
(<i>E</i>)-5-(4-Chlorobenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one: crystal structure and Hirshfeld surface analysis Open
In the title compound, C 20 H 15 ClN 2 O, the non-aromatic six-membered ring adopts a distorted envelope conformation with methylene-C atom nearest to the five-membered ring being the flap atom. The dihedral angle between the phenyl and ch…
View article: CCDC 2099234: Experimental Crystal Structure Determination
CCDC 2099234: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Structural, Vibrational, Quantum Chemical Calculations, Thermal and Antimicrobial Studies On Nitrate Salt Of 3-Nitroaniline
Structural, Vibrational, Quantum Chemical Calculations, Thermal and Antimicrobial Studies On Nitrate Salt Of 3-Nitroaniline Open
In this work, 3-nitroanilinium nitrate (3NAN) has been synthesized and crystallized successfully by solution growth combined with solvent evaporation technique. 3NAN molecular structure has been optimized with Density Functional Theory (DF…
View article: Novel Thiadiazoline Spiro Quinoline Analogues Induced Cell death in MCF-7 cells via G2/M Phase Cell Cycle Arrest
Novel Thiadiazoline Spiro Quinoline Analogues Induced Cell death in MCF-7 cells via G2/M Phase Cell Cycle Arrest Open
A progression of novel thiadiazoline spiro quinoline derivatives were synthesized from potent thiadiazoline spiro quinoline derivatives . The synthesized compounds portrayed by different spectroscopic studies and single X-ray crystallograp…
View article: Synthesis, Spectroscopic Studies, Antimicrobial Activity and Computational Calculations on 3-Nitroanilinium Dihydrogen Phosphate
Synthesis, Spectroscopic Studies, Antimicrobial Activity and Computational Calculations on 3-Nitroanilinium Dihydrogen Phosphate Open
3-Nitroanilinium dihydrogen phosphate (3NADP) has been synthesized and crystallized successfully using the method of solvent evaporation solution growth. The molecular structure has been optimized and geometrical parameters of 3NADP also h…
View article: Structural, Electronic, Molecular Orbital Analysis and Charge Distributions on Nitrate Salt of Guanidine through DFT and TD-DFT Methods
Structural, Electronic, Molecular Orbital Analysis and Charge Distributions on Nitrate Salt of Guanidine through DFT and TD-DFT Methods Open
Guanidinium nitrate, a non-linear optical material has been systematically studied through quantum chemical (density functional theory and Hartree Fock) methods. Studies on Mulliken charge, Frontier molecular orbitals (FMOs) and hyperpolar…
View article: CCDC 2023951: Experimental Crystal Structure Determination
CCDC 2023951: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …