1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties

Damir A. Safin; Koen Robeyns; Yann Garcia

doi:10.1039/c6ce00749j

1,2,4-Triazole-based molecular switches: crystal structures, Hirshfeld surface analysis and optical properties

CrystEngComm ◽

10.1039/c6ce00749j ◽

2016 ◽

Vol 18 (38) ◽

pp. 7284-7296 ◽

Cited By ~ 14

Author(s):

Damir A. Safin ◽

Koen Robeyns ◽

Yann Garcia

Keyword(s):

Optical Properties ◽

Crystal Structures ◽

Surface Analysis ◽

Molecular Switches ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

Synthesis, Crystal Structures, Hirshfeld Surface Analysis, and Magnetic Properties of Two Cu/Ni Schiff‐Base Complexes

Journal of Cluster Science ◽

10.1007/s10876-021-02081-w ◽

2021 ◽

Author(s):

Fayun Chen ◽

Haiyang Zhang ◽

Guangzhao Li ◽

Shuhua Zhang

Keyword(s):

Magnetic Properties ◽

Schiff Base ◽

Crystal Structures ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Schiff Base Complexes ◽

Hirshfeld Surface Analysis

α-Aminophosphonates 4-XC6H4–NH–CH(4-BrC6H4)–P(O)(OiPr)2 (X = H, Br, MeO): Crystal structures, Hirshfeld surface analysis, computational studies and in silico molecular docking with the SARS-CoV-2 proteins

Tetrahedron ◽

10.1016/j.tet.2021.132376 ◽

2021 ◽

pp. 132376

Author(s):

Larisa E. Alkhimova ◽

Maria G. Babashkina ◽

Damir A. Safin

Keyword(s):

Molecular Docking ◽

Crystal Structures ◽

Surface Analysis ◽

In Silico ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Computational Studies ◽

In Silico Molecular Docking

Crystal structure, vibrational studies, optical properties, and Hirshfeld surface analysis of (C5H6N5)2[Cr2O7]

Journal of Coordination Chemistry ◽

10.1080/00958972.2018.1453929 ◽

2018 ◽

Vol 71 (7) ◽

pp. 1035-1047 ◽

Cited By ~ 2

Author(s):

Meriem Hadhri ◽

Hammouda Chebbi ◽

Amor Haddad ◽

Brahim Ayed

Keyword(s):

Crystal Structure ◽

Optical Properties ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Vibrational Studies

Phenylacetic acid co-crystals with acridine, caffeine, isonicotinamide and nicotinamide: Crystal structures, thermal analysis, FTIR spectroscopy and Hirshfeld surface analysis

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.02.066 ◽

2017 ◽

Vol 1139 ◽

pp. 60-66 ◽

Cited By ~ 5

Author(s):

Francoise M. Amombo Noa ◽

Ayesha Jacobs

Keyword(s):

Thermal Analysis ◽

Ftir Spectroscopy ◽

Crystal Structures ◽

Surface Analysis ◽

Phenylacetic Acid ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

Synthesis, structural characterization, Hirshfeld surface analysis and third-order nonlinear optical properties of Schiff bases derived from 1,1-diphenylmethylamine

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131942 ◽

2021 ◽

pp. 131942

Author(s):

M. Dhanalakshmi ◽

C. Balakrishnan ◽

S. Rafi Ahamed ◽

G. Vinitha ◽

S. Parthiban

Keyword(s):

Optical Properties ◽

Surface Analysis ◽

Schiff Bases ◽

Structural Characterization ◽

Nonlinear Optical ◽

Hirshfeld Surface ◽

Nonlinear Optical Properties ◽

Hirshfeld Surface Analysis ◽

Third Order

Synthesis, structure, optical properties and Hirshfeld surface analysis of bis(azepanium) hexachlorostannate(IV)

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2021.1994828 ◽

2021 ◽

pp. 1-14

Author(s):

M. Manonmani ◽

M. Dhanalakshmi ◽

R. Markkandan ◽

C. Balakrishnan

Keyword(s):

Optical Properties ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis

Synthesis, crystal structures, Hirshfeld surface analysis, theoretical insight and molecular docking studies of dinuclear and triply bridged Cu(II) carboxylate complexes with 2,2’-bipyridine or 1,10-phenanthroline

Polyhedron ◽

10.1016/j.poly.2021.115502 ◽

2021 ◽

pp. 115502

Author(s):

Abiodun A. Ajibola ◽

Kyle A. Grice ◽

Fouzia Perveen ◽

Agnieszka Wojciechowska ◽

Lesław Sieroń ◽

...

Keyword(s):

Molecular Docking ◽

Crystal Structures ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Carboxylate Complexes ◽

Molecular Docking Studies ◽

Theoretical Insight

Electronic aspects of hydrogen bond patterns of P=O···H in crystal structures of phosphoramido acid derivatives: QSAR study of anti-urease activity, Hirshfeld surface analysis, and DFT calculations

Journal of the Iranian Chemical Society ◽

10.1007/s13738-020-01862-w ◽

2020 ◽

Vol 17 (6) ◽

pp. 1387-1400

Author(s):

Lida Asadi ◽

Khodayar Gholivand ◽

Karim Zare

Keyword(s):

Hydrogen Bond ◽

Dft Calculations ◽

Crystal Structures ◽

Surface Analysis ◽

Urease Activity ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Qsar Study ◽

Hydrogen Bond Patterns

Crystal structures, Hirshfeld surface analysis and PIXEL calculations of four (E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one derivatives, containing methoxy substituents. The importance of π interactions

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128652 ◽

2020 ◽

Vol 1221 ◽

pp. 128652

Author(s):

Ligia R. Gomes ◽

John N. Low ◽

Alan B. Turner ◽

James L. Wardell ◽

Alessandra C. Pinheiro

Keyword(s):

Crystal Structures ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Π Interactions

Co-crystal structures of 2,4-diamino-6-phenyl-1,3,5-triazine – 4-chlorobenzoic acid/4-methoxybenzoic acid: Synthesis, structural and Hirshfeld surface analysis

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2019.1577485 ◽

2018 ◽

Vol 668 (1) ◽

pp. 105-117

Author(s):

Ramalingam Sangeetha ◽

Kasthuri Balasubramani ◽

Kaliyaperumal Thanigaimani ◽

Savaridasson Jose kavitha ◽

Madhukar Hemamalini

Keyword(s):

Crystal Structures ◽

Surface Analysis ◽

Acid Synthesis ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Chlorobenzoic Acid ◽

Methoxybenzoic Acid