Crystal structure determination, hirshfeld surface analysis and quantum computational studies of (3E,5E)-1-ethyl-3,5-bis (naphthalen-1-yl-methylidene) piperidin-4-one: A novel RORc inhibitor

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129313 ◽

2021 ◽

Vol 1225 ◽

pp. 129313

Author(s):

Rajni Swamy V ◽

Ravikumar C

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Structure Determination ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Determination ◽

Computational Studies

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Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies of titanium(IV) Schiff base complex

Journal of Coordination Chemistry ◽

10.1080/00958972.2021.1972984 ◽

2021 ◽

pp. 1-19

Author(s):

Hadi Kargar ◽

Mehdi Fallah-Mehrjardi ◽

Reza Behjatmanesh-Ardakani ◽

Muhammad Nawaz Tahir ◽

Muhammad Ashfaq ◽

...

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Surface Analysis ◽

Structure Determination ◽

Schiff Base Complex ◽

Hirshfeld Surface ◽

Spectral Characterization ◽

Hirshfeld Surface Analysis ◽

Computational Studies ◽

Base Complex

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Synthesis, crystal structure determination, DFT calculation, and Hirshfeld surface analysis of a new Zn(II) complex with the guaninium ligand

Journal of Coordination Chemistry ◽

10.1080/00958972.2020.1844192 ◽

2020 ◽

Vol 73 (24) ◽

pp. 3307-3321

Author(s):

Klai Kacim ◽

Christian Jelsch ◽

Christine Lucas ◽

Frédéric Lefebvre ◽

Werner Kaminsky ◽

...

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Structure Determination ◽

Dft Calculation ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Determination

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Sonication-assisted synthesis of new Schiff bases derived from 3-ethoxysalicylaldehyde: Crystal structure determination, Hirshfeld surface analysis, theoretical calculations and spectroscopic studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130782 ◽

2021 ◽

pp. 130782

Author(s):

Hadi Kargar ◽

Mehdi Fallah-Mehrjardi ◽

Reza Behjatmanesh-Ardakani ◽

Vajiheh Torabi ◽

Khurram Shahzad Munawar ◽

...

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Schiff Bases ◽

Structure Determination ◽

Theoretical Calculations ◽

Spectroscopic Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Determination

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Synthesis, crystal structure determination of two-dimensional supramolecular co-ordination polymer of silver(I) with 1,2-Bis(phenylthio)ethane and its Hirshfeld surface analysis

Journal of Chemical Sciences ◽

10.1007/s12039-015-0839-5 ◽

2015 ◽

Vol 127 (5) ◽

pp. 849-856 ◽

Cited By ~ 13

Author(s):

RAHUL K MUDSAINIYAN ◽

AMANPREET K JASSAL ◽

MEENU ARORA ◽

SUKHVINDER K CHAWLA

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Structure Determination ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Determination ◽

Two Dimensional

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Synthesis, characterization and crystal structure determination of Mn (II) ion based 1D polymer constructed from 2, 2′ bipyridyl and azide group, its thermal stability, magnetic properties and Hirshfeld surface analysis

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2014.12.028 ◽

2015 ◽

Vol 225 ◽

pp. 249-255 ◽

Cited By ~ 10

Author(s):

R.K. Mudsainiyan ◽

Amanpreet Kaur Jassal ◽

S.K. Chawla

Keyword(s):

Crystal Structure ◽

Thermal Stability ◽

Magnetic Properties ◽

Surface Analysis ◽

Structure Determination ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Determination ◽

Azide Group

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3-(benzo[d]thiazol-2-YL)phenol and 4-(benzo[d]thiazol-2-YL)phenol: Crystal Structure Determination, DFT Calculations and Visualizing Intermolecular Interactions Using Hirshfeld Surface Analysis

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2015.1107812 ◽

2016 ◽

Vol 629 (1) ◽

pp. 120-134 ◽

Cited By ~ 3

Author(s):

R. K. Mudsainiyan ◽

A. K. Jassal

Keyword(s):

Crystal Structure ◽

Dft Calculations ◽

Surface Analysis ◽

Intermolecular Interactions ◽

Structure Determination ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Crystal Structure Determination

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Titanium(IV) complex containing ONO-tridentate Schiff base ligand: Synthesis, crystal structure determination, Hirshfeld surface analysis, spectral characterization, theoretical and computational studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130653 ◽

2021 ◽

pp. 130653

Author(s):

H. Kargar ◽

M. Fallah-Mehrjardi ◽

R. Behjatmanesh-Ardakani ◽

K.S. Munawar ◽

M. Ashfaq ◽

...

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Surface Analysis ◽

Schiff Base Ligand ◽

Structure Determination ◽

Hirshfeld Surface ◽

Spectral Characterization ◽

Hirshfeld Surface Analysis ◽

Computational Studies ◽

Tridentate Schiff Base

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Synthesis of novel benzohydrazide and benzoic acid derivatives: Crystal Structure, Hirshfeld surface analysis and DFT computational studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130465 ◽

2021 ◽

pp. 130465

Author(s):

Sofia Zazouli ◽

Latifa Lâallam ◽

El Mostafa Ketatni

Keyword(s):

Crystal Structure ◽

Benzoic Acid ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Computational Studies ◽

Benzoic Acid Derivatives

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Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Thiazolidin-4-one derivative: (Z)-5-(4-Chlorobenzylidene)-3-(2-ethoxyphenyl)-2-thioxothiazolidin-4-one

Acta Chimica Slovenica ◽

10.17344/acsi.2016.2362 ◽

2016 ◽

pp. 619-626 ◽

Cited By ~ 5

Author(s):

Nawel Khelloul ◽

Khaled Toubal ◽

Nadia Benhalima ◽

Rachida Rahmani ◽

Abdelkader Chouaih ◽

...

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Computational Studies

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Synthesis, characterization, molecular structure determination by single crystal X-ray diffraction, and Hirshfeld surface analysis of 7-fluoro-6-morpholino-3-phenylquinolin-1-ium chloride salt and computational studies of its cation

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131701 ◽

2021 ◽

pp. 131701

Author(s):

Dhananjay Rao Thandra ◽

Ramachandraiah Allikayala

Keyword(s):

Molecular Structure ◽

Single Crystal ◽

Surface Analysis ◽

Structure Determination ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Chloride Salt ◽

Computational Studies ◽

X Ray Diffraction ◽

X Ray

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