A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach

Rationalizing the stability and interactions of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2-hydroxy-3,5-dinitrobenzoate salt

(2019) Muhammad Nawaz Tahir et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, spectral characterization and X-ray crystal structure studies of 3-(benzo[d][1,3]dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT and thermal analysis

(2018) Karthik Kumara et al.   JOURNAL OF MOLECULAR STRUCTURE

Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study

(2018) Saikat Kumar Seth et al.   NEW JOURNAL OF CHEMISTRY

Quantifying conventional C–H⋯π(aryl) and unconventional C–H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study

(2018) Tithi Maity et al.   NEW JOURNAL OF CHEMISTRY

Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones

(2018) Jebiti Haribabu et al.   NEW JOURNAL OF CHEMISTRY

The Importance of CH···X (X = O, π) Interaction of a New Mixed Ligand Cu(II) Coordination Polymer: Structure, Hirshfeld Surface and Theoretical Studies

(2018) Saikat Seth   Crystals

Frontier Molecular Orbital Contributions to Chlorination versus Hydroxylation Selectivity in the Non-Heme Iron Halogenase SyrB2

(2017) Martin Srnec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical studies and spectroscopic characterization of novel 4-methyl-5-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)benzene-1,2-diol

(2016) Somayeh Soleimani Amiri et al.   JOURNAL OF MOLECULAR STRUCTURE

Robustness of thioamide dimer synthon, carbon bonding and thioamide–thioamide stacking in ferrocene-based thiosemicarbazones

(2015) Rifat Jawaria et al.   CRYSTENGCOMM

A review on recent developments of indole-containing antiviral agents

(2015) Ming-Zhi Zhang et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Structural elucidation and contribution of intermolecular interactions in O-hydroxy acyl aromatics: Insights from X-ray and Hirshfeld surface analysis

(2014) Saikat Kumar Seth   JOURNAL OF MOLECULAR STRUCTURE

Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions

(2013) Saikat Kumar Seth et al.   CRYSTENGCOMM

A successive layer-by-layer assembly of supramolecular frameworks driven by a novel type of face-to-face π+–π+ interactions

(2013) Prankrishna Manna et al.   CRYSTENGCOMM

Chemistry and Biology of Indoles and Indazoles: A Mini-Review

(2013) Nasir Shafakat Ali et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Structural elucidation and electronic properties of two pyrazole derivatives: A combined X-ray, Hirshfeld surface analyses and quantum mechanical study

(2011) Saikat Kumar Seth et al.   CHEMICAL PHYSICS LETTERS

Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]

(2011) Saikat Kumar Seth et al.   CRYSTAL GROWTH & DESIGN

Structural elucidation, Hirshfeld surface analysis and quantum mechanical study of para-nitro benzylidene methyl arjunolate

(2011) Saikat Kumar Seth et al.   JOURNAL OF MOLECULAR STRUCTURE

Biological assays and noncovalent interactions of pyridine-2-carbaldehyde thiosemicarbazonecopper(II) drugs with [poly(dA–dT)]2, [poly(dG–dC)]2, and calf thymus DNA

(2010) Rebeca Ruiz et al.   JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY

Synthesis and Study of the Use of Heterocyclic Thiosemicarbazones As Signaling Scaffolding for the Recognition of Anions

(2010) M. Manuela M. Raposo et al.   JOURNAL OF ORGANIC CHEMISTRY

Crystal structure and DFT calculations of andrographiside

(2009) Saikat Kumar Seth et al.   JOURNAL OF MOLECULAR STRUCTURE