Results 121 to 130 of about 18,738 (216)

Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate [PDF]

, 2019
Said Dadou, Sevgi Kansız, Said Daoui, Fouad El Kalai, Cemile Baydere, Rafik Saddik, Khalid Karrouchi, Necmi Dege, N. Benchat   +8 more
openalex   +1 more source

Ion‐Pairing‐Modulated Diradical Properties in Partially Conjugated Negatively Charged π‐Electronic Systems

Chemistry – A European Journal, Volume 31, Issue 65, November 20, 2025.
A quinonoidal dipyrrolyldiketone boron complex with an orthogonally arranged catechol unit in the dianionic form exhibited diradical properties, as observed from the singlet–triplet energy gaps (ΔEST) that were modulated by coexisting countercations. ΔEST values were controlled by the bridging boron moieties in the dianion diradicals.
Hiroto Kobayashi, Takashi Kubo, Shinya Sugiura, Yohei Haketa, Hiromitsu Maeda   +4 more
wiley   +1 more source

A New Half-Salamo-Based Homo-Trinuclear Nickel(II) Complex: Crystal Structure, Hirshfeld Surface Analysis, and Fluorescence Properties [PDF]

, 2019
Xiao‐Xin An, Qing Zhao, Hao-Ran Mu, Wen‐Kui Dong   +3 more
openalex   +1 more source

In Pursuit of Low Energy Phosphorescence: Late Metal Coordination Complexes of the Planar, π‐extended Bipyridyl Ligand 6,6′,7,7′‐Biphenanthridine

Chemistry – A European Journal, Volume 31, Issue 63, November 12, 2025.
Abstract The coordination chemistry of the planar, doubly π‐extended bipyridine analog, 6,6′,7,7′‐biphenanthridine (p‐biphe), is presented. The phenanthridine units in p‐biphe are fused together at the 6‐ and 7‐ positions, and the resulting rigid ligand is compared with the more flexible parent “biphe” fused only at the 6‐positions.
Dion B. Nemez, Robert J. Ortiz, Keighlynn A. Veilleux, J. A. Gareth Williams, David E. Herbert   +4 more
wiley   +1 more source

Effect of pressure on the crystal structure of alpha-glycylglycine to 4.7 GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure [PDF]

, 2006
Allan, D R, Moggach, S A, Parsons, S, Sawyer, L   +3 more
core   +1 more source

Theoretical studies on Copper(II) complexes based on different carboxylate ligands: Hirshfeld surface analysis and molecular docking studies [PDF]

, 2023
Muhammad Nadeem Akhtar, Muhammad Safdar Bilal, Md. Arfan Ali, Shazia Waseem, Muhammad Nadeem Shahzad, Aziz B. Ibragimov, Aziz ur Rehman, Muhammad Shahwaz Ahmad, M. Shahid   +8 more
openalex   +1 more source

Impact of Halogen Substituent Nature and Position on the Structural and Energetic Properties of Carbamazepine Cocrystals with Meta‐Halobenzoic Acids: A Two‐Pathway Synthesis Study

ChemPlusChem, Volume 90, Issue 11, November 10, 2025.
This study explores how halogen substitution in benzoic acid coformers affects the structure and stability of carbamazepine cocrystals. Isostructurality and enhanced lattice stability with heavier halogens are revealed, highlighting key supramolecular interactions.
Artur Mirocki, Mattia Lopresti
wiley   +1 more source

Engineering Lanthanide Metal‐Organic Framework Nuclease Nanozymes: Unveiling Affinity‐Driven DNA Hydrolysis

Aggregate, Volume 6, Issue 11, November 2025.
Affinity‐engineered lanthanide MOFs overturn the Lewis acidity paradigm: DNA hydrolysis efficiency rises with atomic number despite weaker binding. Yb‐BDC achieves record DNA‐cleaving activity yet low BNPP activity, revealing a critical binding–release cycle.
Zhiwen Gan, Long Yu, Yongzhen Liu, Yumin Feng, Jiyu Tong, Yuxiu Xiao   +5 more
wiley   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-1H-pyrazol-3-yl 4-nitrobenzenesulfonate at 90 K

Acta Crystallographica Section E: Crystallographic Communications
This study presents the synthesis, crystal structure, and a Hirshfeld-surface analysis of the bioactive compound 5-methyl-1H-pyrazol-3-yl 4-nitrobenzenesulfonate(C10H9N3O5S), a pyrazole derivative with pharmacological potential.
Vinaya, Syida A. Yakuth, Thaluru M. Mohan Kumar, Besagarahally L. Bhaskar, Thayamma R. Divakara, Hemmige S. Yathirajan, Yeriyur B. Basavaraju, Sean Parkin   +7 more
doaj   +1 more source

Structural, Hirshfeld surface and three-dimensional interaction energy studies of 2-(6-iodo-4-oxo-3,4-dihydroquinazolin-3-yl)ethanesulfonyl fluoride [PDF]

, 2023
D.P. Ganesha, N.R. Sreenatha, S.R. Shankara, B.N. Lakshminarayana   +3 more
openalex   +1 more source