Sulfuric acid-mediated synthesis of 2,5-disubstituted 1,3,4-thiadiazole via intramolecular cyclization reaction from dithioesters: An approach to crystal structure prediction, DFT studies and Hirshfeld surface analysis

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131970 ◽

2021 ◽

pp. 131970

Author(s):

Kemparajegowda ◽

Hassan A. Swarup ◽

S. Chandrasekhar ◽

B.K. Jayanna ◽

Karthik Kumara ◽

...

Keyword(s):

Crystal Structure ◽

Sulfuric Acid ◽

Surface Analysis ◽

Intramolecular Cyclization ◽

Structure Prediction ◽

Hirshfeld Surface ◽

Cyclization Reaction ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Prediction ◽

Dft Studies

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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

Journal of Molecular Structure ◽

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 ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

Unsaturated Compounds ◽

Triphenyl Phosphonium ◽

Phosphonium Cations

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

Journal of Molecular Structure ◽

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 ◽

Hirshfeld Surface Analysis ◽

Dft Studies

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

Journal of Molecular Structure ◽

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 ◽

Hirshfeld Surface Analysis ◽

Dft Studies

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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 ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

Secondary Ligand

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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 ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

Chemical Preparation

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Crystal structure, hydrogen bonding interactions, Hirshfeld surface analysis and DFT Studies of 4,4′-dicarboxy-2,2′-bipyridinium chloride

Chemical Data Collections ◽

10.1016/j.cdc.2020.100502 ◽

2020 ◽

Vol 29 ◽

pp. 100502

Author(s):

J. Sivaraman ◽

K. Karthikeyan ◽

C. Arunagiri ◽

A. Subashini

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

Hydrogen Bonding Interactions

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Synthesis, characterization and hydrogen bonding attributes of halogen bonded O-hydroxy Schiff bases: Crystal structure, Hirshfeld surface analysis and DFT studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127238 ◽

2020 ◽

Vol 1202 ◽

pp. 127238 ◽

Cited By ~ 2

Author(s):

A.L. Amrutha Kala ◽

Karthik Kumara ◽

Nanishankar V. Harohally ◽

N.K. Lokanath

Keyword(s):

Crystal Structure ◽

Hydrogen Bonding ◽

Surface Analysis ◽

Schiff Bases ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Dft Studies

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Synthesis, Characterization, Crystal Structure, Hirshfeld surface analysis and DFT studies of novel compounds based on the methoxynaphthalene ring

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130947 ◽

2021 ◽

pp. 130947

Author(s):

El-Mahdi Ourhzif ◽

Isabelle Abrunhosa-Thomas ◽

Pierre Chalard ◽

Mostafa Khouili ◽

Yves Troin ◽

...

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Dft Studies

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Unusual intra- and intermolecular Ni···H-C anagostic interactions in (N-(pyrrol-2-ylmethyl)-N-(2-phenylethyl)dithiocarbamato-S,S’)- (thiocyanato-κN)(triphenylphosphine)nickel(II): synthesis, spectral properties, crystal structure, Hirshfeld surface analysis and DFT studies

Phosphorus Sulfur and Silicon and the Related Elements ◽

10.1080/10426507.2021.1876059 ◽

2021 ◽

pp. 1-12

Author(s):

P. Lakshmanan ◽

E. Sathiyaraj ◽

S. Thirumaran ◽

Samuele Ciattini

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Spectral Properties ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Dft Studies

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Green synthesis of tetraketones: crystal structure, DFT studies and Hirshfeld surface analysis of 2,2′-((3,4-dimethoxyphenyl) methylene) bis(3-hydroxy-5,5-dimethylcyclohex2-enone)

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1829308 ◽

2020 ◽

Vol 709 (1) ◽

pp. 81-97

Author(s):

R. Shashi ◽

Noor Shahina Begum ◽

Anoop Kumar Panday

Keyword(s):

Crystal Structure ◽

Green Synthesis ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Dft Studies

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