Hirshfeld surface analysis, vibrational spectra, optical, DFT studies and biological activities of (C7H12N2)2[SnCl6]Cl2·1.5H2O compound

Hirshfeld surface analysis and DFT studies on molecular structure, vibrational spectra, NMR chemical shifts and NBO analysis of Bis(2-hydroxyethyl(phenyl)carbamodithioate) nickel (II)

10.1016/j.molstruc.2019.07.060 ◽

2019 ◽

Vol 1197 ◽

pp. 308-317 ◽

Cited By ~ 4

Author(s):

Tomilola J. Ajayi ◽

Micheal Shapi

Keyword(s):

Molecular Structure ◽

Surface Analysis ◽

Vibrational Spectra ◽

Chemical Shifts ◽

Nbo Analysis ◽

Hirshfeld Surface ◽

Dft Studies ◽

Nmr Chemical Shifts

Qualitative and quantitative contributions of intermolecular interactions of dinuclear Ag complexes of sulfathiazole and sulfadiazine: X-ray crystallographic, Hirshfeld surface analysis, DFT studies and biological activities

10.1016/j.molstruc.2022.132426 ◽

2022 ◽

pp. 132426

Author(s):

Mohammed Dawood Alalawy ◽

Bhavesh N. Socha ◽

Urmila H. Patel ◽

R.H. Patel ◽

Bhupesh S. Bhatt ◽

...

Keyword(s):

Surface Analysis ◽

Intermolecular Interactions ◽

Biological Activities ◽

Hirshfeld Surface ◽

Dft Studies ◽

X Ray ◽

Qualitative And Quantitative ◽

Quantitative Contributions

Crystal structure, characterization, Hirshfeld surface analysis and DFT studies of two [propane 3-bromo-1-(triphenyl phosphonium)] cations containing bromide (I) and tribromide (II) anions: The anion (II) as a new brominating agent for unsaturated compounds

10.1016/j.molstruc.2019.05.127 ◽

2019 ◽

Vol 1195 ◽

pp. 542-554 ◽

Cited By ~ 1

Author(s):

Seyed Reza Nokhbeh ◽

Mostafa Gholizadeh ◽

Alireza Salimi ◽

Hazel A. Sparkes

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Structure Characterization ◽

Dft Studies ◽

Unsaturated Compounds ◽

Triphenyl Phosphonium ◽

Phosphonium Cations

An iron(II) complex of trans, trans, trans-bis(azido)bis(4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole): Insight into molecular and supramolecular structures using Hirshfeld surface analysis and DFT studies

10.1016/j.molstruc.2021.130155 ◽

2021 ◽

Vol 1235 ◽

pp. 130155

Author(s):

Zouaoui Setifi ◽

Fatima Setifi ◽

Christopher Glidewell ◽

Diego M. Gil ◽

Alexey V. Kletskov ◽

...

Keyword(s):

Surface Analysis ◽

Hirshfeld Surface ◽

Supramolecular Structures ◽

Dft Studies ◽

Insight Into

Synthesis, X-ray characterization, DFT studies and Hirshfeld surface analysis of new organic single crystal: 2-(4-Methoxyphenyl)-4-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl] methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one (MTBT)

10.1016/j.molstruc.2018.11.060 ◽

2019 ◽

Vol 1179 ◽

pp. 809-819 ◽

Cited By ~ 2

Author(s):

Praveen K. Bayannavar ◽

Madivalagouda S. Sannaikar ◽

S. Madan Kumar ◽

Sanjeev R. Inamdar ◽

Saba Kauser J. Shaikh ◽

...

Keyword(s):

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Dft Studies ◽

X Ray ◽

Organic Single Crystal

1,2,4-triazole-3-thione Schiff bases compounds: Crystal structure, hirshfeld surface analysis, DFT studies and biological evaluation

10.1016/j.molstruc.2020.128591 ◽

2020 ◽

Vol 1219 ◽

pp. 128591 ◽

Cited By ~ 2

Author(s):

Shaojie Wu ◽

Le Qi ◽

Yinghui Ren ◽

Haixia Ma

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Schiff Bases ◽

Biological Evaluation ◽

Hirshfeld Surface ◽

Single crystal structure, Hirshfeld surface analysis and DFT studies on 2‑bromo-4‑chloro-6-[(2‑hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

10.1016/j.molstruc.2020.129397 ◽

2021 ◽

Vol 1226 ◽

pp. 129397

Author(s):

Tarun Kumar Pal ◽

Subrata Paul ◽

Jewel Hossen ◽

Ashraful Alam ◽

Chanmiya Sheikh ◽

...

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Single Crystal Structure ◽

DFT studies, Hirshfeld surface analysis and crystal structure of novel silver complex of sulfapyridine with secondary ligand pyridine

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2017.1397432 ◽

2017 ◽

Vol 656 (1) ◽

pp. 139-152 ◽

Cited By ~ 10

Author(s):

Rahul P. Dubey ◽

Urmila H. Patel ◽

Sanjay M. Tailor

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Silver Complex ◽

Dft Studies ◽

Secondary Ligand

Chemical preparation, crystal structure, Hirshfeld surface analysis, spectroscopy, DFT studies, thermal decomposition and magnetic measurements of (C4H12N2)[FeCl3(H2O)3]Cl2

Inorganic Chemistry Communications ◽

10.1016/j.inoche.2019.107748 ◽

2020 ◽

Vol 112 ◽

pp. 107748

Author(s):

Ines Kadri ◽

Slim Elleuch ◽

Carlos Jose Tavares ◽

Manuel Bañobre-López ◽

Michel François ◽

...

Keyword(s):

Crystal Structure ◽

Thermal Decomposition ◽

Surface Analysis ◽

Magnetic Measurements ◽

Hirshfeld Surface ◽

Dft Studies ◽

Chemical Preparation

Cocrystals of Gallic Acid with Urea and Propionamide: Supramolecular Structures, Hirshfeld Surface Analysis, and DFT Studies

Crystal Research and Technology ◽

10.1002/crat.201900016 ◽

2019 ◽

Vol 54 (8) ◽

pp. 1900016 ◽

Cited By ~ 4

Author(s):

Kanchi Lakshminarayanashetty Jyothi ◽

Raj Gautam ◽

Diptikanta Swain ◽

Tayur Narasingarow Guru Row ◽

Neratur Krishnappagowda Lokanath

Keyword(s):

Gallic Acid ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Supramolecular Structures ◽