Recurrent π–π stacking motifs in three new 4, 5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations
The synthesis and X-ray characterization of three new 4, 5-dihydropyrazolylthiazole–
coumarin hybrids (1–3) are reported herein, namely 3-(2-(3, 5-bis (4-chlorophenyl)-4, 5 …
coumarin hybrids (1–3) are reported herein, namely 3-(2-(3, 5-bis (4-chlorophenyl)-4, 5 …
[PDF][PDF] Structural characterization and Hirshfeld surface analysis of a CoII complex with imidazo [1, 2-a] pyridine
SK Seth - Acta Crystallographica Section E: Crystallographic …, 2018 - journals.iucr.org
A new mononuclear tetrahedral CoII complex, dichloridobis (imidazo [1, 2-a] pyridine-κN1)
cobalt (II),[CoCl2 (C7H6N2) 2], has been synthesized using a bioactive imidazopyridine …
cobalt (II),[CoCl2 (C7H6N2) 2], has been synthesized using a bioactive imidazopyridine …
Synthesis, structure, surface analysis, molecular docking, physico-chemical characteristics, and DFT calculus discussion of a novel hybrid perovskite material …
Abstract XRD, FT-IR, Hirshfeld surface, TG-DTA, and ultimately a DFT calculation using
Gaussian software were used to describe the novel perovskite based on chloromercurate (II) …
Gaussian software were used to describe the novel perovskite based on chloromercurate (II) …
Towards design strategies for anion–π interactions in crystal engineering
For well over half a century part of the scientific community has been committed to
understanding and predicting how molecules recognize each other. This subject of …
understanding and predicting how molecules recognize each other. This subject of …
Hydrogen bonding and π–π interactions in imidazolium-chloride ionic liquid clusters
RP Matthews, T Welton, PA Hunt - Physical Chemistry Chemical …, 2015 - pubs.rsc.org
A systematic electronic structure analysis of hydrogen bonding (H-bonding), anion–π+ and
π+–π+ interactions present in [C1C1im] Cl ion-pairs (IPs) and selected [C1C1im] 2Cl2 IP …
π+–π+ interactions present in [C1C1im] Cl ion-pairs (IPs) and selected [C1C1im] 2Cl2 IP …
Quantifying conventional C–H⋯ π (aryl) and unconventional C–H⋯ π (chelate) interactions in dinuclear Cu (II) complexes: experimental observations, Hirshfeld …
T Maity, H Mandal, A Bauzá, BC Samanta… - New Journal of …, 2018 - pubs.rsc.org
Two novel Cu (II) complexes,[Cu2L2 (μ1. 1-N3) 2](1) and [Cu2L2 (μ1. 1-CH3COO−) 2]·
2H2O (2), have been synthesized using a tridentate NNO donor Schiff base ligand, 2 …
2H2O (2), have been synthesized using a tridentate NNO donor Schiff base ligand, 2 …
Spodium bonding and other non-covalent interactions assisted supramolecular aggregation in a new mercury (II) complex of a nicotinohydrazide derivative
G Mahmoudi, E Zangrando, B Miroslaw… - Inorganica Chimica …, 2021 - Elsevier
In this work we report a new Hg (II) coordination compound [Hg (HL)(SCN) 2], which was
readily obtained from a mixture of Hg (SCN) 2 and N'-(1-(pyridin-2-yl) ethylidene) …
readily obtained from a mixture of Hg (SCN) 2 and N'-(1-(pyridin-2-yl) ethylidene) …
Favipiravir: insight into the crystal structure, Hirshfeld surface analysis and computational study
MG Babashkina, A Frontera, AV Kertman… - Journal of the Iranian …, 2022 - Springer
In this work we report structural and computational studies of favipiravir, which is now used
as a drug for COVID-19 treatment. The molecule is completely flat and stabilized by an …
as a drug for COVID-19 treatment. The molecule is completely flat and stabilized by an …
On the importance of unconventional Cu⋯ π interaction in tetrachloro-bis (1, 10-phenanthroline)-dicopper (II) complex: Insights from experiment and theory
P Dey, A Hossain, SK Seth - Journal of Molecular Structure, 2024 - Elsevier
A copper-phenanthroline complex, namely [bis (μ 2‑chloro)-dichloro-bis (1, 10-
phenanthroline)-di-copper (II)] has been synthesized and structurally characterized by single …
phenanthroline)-di-copper (II)] has been synthesized and structurally characterized by single …
Structural elucidation of phenoxybenzaldehyde derivatives from laboratory powder X-ray diffraction: A combined experimental and theoretical quantum mechanical …
Crystal structure of two new phenoxybenzaldehyde derivatives, 4-(4-bromophenoxy)
benzaldehyde (1) and 4-(4-nitrophenoxy) benzaldehyde (2), have been determined from …
benzaldehyde (1) and 4-(4-nitrophenoxy) benzaldehyde (2), have been determined from …