Results 271 to 280 of about 1,209,817 (305)

Hirshfeld surface analysis of some new heteroleptic Copper(I) complexes

Journal of Molecular Structure, 2019
Abstract Seven new coordination complexes namely, [Cu(T1) (I) (PPh3)2] (CT1), [Cu(T2) (I) (PPh3)2] (CT2), [Cu(T3) (I) (PPh3)2] (CT3), [Cu(T4) (I) (PPh3)2] (CT4), [Cu(T5) (I) (PPh3)2] (CT5), [Cu(T6) (I) (PPh3)2] (CT6) and [Cu(T7) (I) (PPh3)2] (CT7), were synthesized and characterized by using spectroscopic and crystallographic methods.
Mohamad Zarif Mohd Zubir, Nazzatush Shimar Jamaludin, Siti Nadiah Abdul Halim   +2 more
openaire   +2 more sources

Comparison of Polymorphic Molecular Crystal Structures through Hirshfeld Surface Analysis

Crystal Growth & Design, 2007
Graphical tools based on Hirshfeld surfaces and two-dimensional (2D) fingerprint plots are shown to be valuable for visualizing and analyzing intermolecular interactions in polymorphs of molecular crystals and make the task of polymorph comparison easier and considerably faster. This is the direct result of the underlying principle behind the Hirshfeld
Joshua J. McKinnon, Francesca P. A. Fabbiani, Mark A. Spackman   +2 more
openaire   +1 more source

6,6′-Dimethylsulfinyl-2,2′-bipyridine: crystal structure and Hirshfeld surface analysis

Journal of Sulfur Chemistry, 2013
The structure of 6,6′-dimethylsulfinyl-2,2′-bipyridine (1) has been determined by a single-crystal X-ray crystallography. This compound crystallizes in the monoclinic P21 space group with a=5.7922(12) A, b=8.7292(5) A, c=13.0887(16) A, β=102.094(14)° and Z=2.
Ewa Rozycka-Sokolowska, Bernard Marciniak, Justyna Ławecka, Bogdan Bujnicki, Jozef Drabowicz, Andrzej Rykowski   +5 more
openaire   +1 more source

Synthesis, Structural, Spectroscopic, Hirshfeld Surface Analysis and Computational Study of Copper Complex Containing Salicylaldimine Ligands

Journal of Structural Chemistry, 2023
E. Alaman, A. Alaman Ağar, Muhammad Mohsin Tahir, Muhammad Ashfaq, E. Poyraz, N. Dege   +5 more
semanticscholar   +1 more source

Hirshfeld surface analysis of diclofenac acid

AIP Conference Proceedings, 2019
Deniz Baylan, Seda Gunesdogdu Sagdinc
openaire   +1 more source

Spectral investigation, TD-DFT study, Hirshfeld Surface analysis, NCI-RDG, HOMO-LUMO, chemical reactivity and NLO properties of 1-(4-fluorobenzyl)-5-bromolindolin-2,3-dione

Journal of Molecular Structure, 2023
Nourdine Boukabcha, Abdelmadjid Benmohammed, Mohammed Hadj Mortada Belhachemi, Meriem Goudjil, S. Yahiaoui, Y. Megrouss, Ahmed Djafri, N. Khelloul, Zohra Douaa Benyehlou, A. Djafri, A. Chouaih   +10 more
semanticscholar   +1 more source

Synthesis and Charaterizations of the Schiff Base Derived from 2-Hydroxy-5-Nitrobenzaldehyde Alongwith Hirshfeld Surface Analysis and Computational Study

Journal of Structural Chemistry, 2023
O. Simsek, Muhammad Ashfaq, Muhammad Mohsin Tahir, S. Ozturk, E. Ağar   +4 more
semanticscholar   +1 more source

SYNTHESIS, CRYSTAL STRUCTURE, SUPRAMOLECULAR ASSEMBLY EXPLORATION BY HIRSHFELD SURFACE ANALYSIS AND COMPUTATIONAL STUDY OF 6-BROMO-2-OXO- 2H-CHROMENE-3-CARBONITRILE (BOCC)

Journal of Structural Chemistry, 2023
M. Kurbanova, Muhammad Ashfaq, Muhammad Mohsin Tahir, A. Maharramov, N. Dege, A. Koroğlu   +5 more
semanticscholar   +1 more source

Crystal structure and Hirshfeld surface analysis of pinaverium bromide dihydrate

Powder Diffraction
In the present study, we have discovered and identified a new crystalline form of pinaverium bromide, pinaverium bromide dihydrate (C26H41BrNO4⋅Br⋅2H2O), whose single crystals can be obtained by recrystallization from a mixture of water and acetonitrile at room temperature.
Dezhen Chen, Wangting Zhou, Yujing Wei, Chenghan Zhuang, Yazheng He, Xiaoli Li, Kaibo Li, Zhaoxia Zhang, Guoqing Zhang   +8 more
openaire   +1 more source

Crystal structure, Hirshfeld surface analysis, computational study and molecular docking simulation of 4-aminoantipyrine derivative

Journal of Molecular Structure
M. Tahir, Muhammad Ashfaq, Mehran Feizi‐Dehnayebi, K. Munawar, Ş. Atalay, N. Dege, Naila Guliyeva, Akbar Sultan   +7 more
semanticscholar   +1 more source