Multielectron transfer and field-induced slow magnetic relaxation in opto-electroactive spin crossover cobalt (ii) complexes: structure–function correlations
Designing and implementing multielectron transfer and single-molecule magnet properties
in spin crossover compounds constitute a promising way to obtain a new class of …
in spin crossover compounds constitute a promising way to obtain a new class of …
Crystallographic and ab initio study of pyridine CH–O interactions: linearity of the interactions and influence of pyridine classical hydrogen bonds
The CH–O interactions of pyridine with water molecules were studied by analysing the data
in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of …
in the Cambridge Structural Database (CSD) and by ab initio calculations. The analysis of …
C–H/O interactions of aromatic CH donors within proteins: a crystallographic study
JL Dragelj, IM Stankovic, DM Bozinovski… - Crystal Growth & …, 2016 - ACS Publications
C–H/O interactions of aromatic C–H donors within proteins have been studied by analyzing
the data in the Protein Data Bank (PDB). The C–H/O interactions were studied between …
the data in the Protein Data Bank (PDB). The C–H/O interactions were studied between …
Part‐per‐million catalysis of azide‐alkyne cycloaddition reaction in water using a new ferromagnetic μ1,1‐N3 bridged dinuclear Cu(II) complex
V Mirdarvatan, B Bahramian… - Applied …, 2022 - Wiley Online Library
An original copper (II) dimeric compound formulated as [Cu2 (μ1, 1‐N3) 2L2 (N3) 2].
2CHCl3 (1), with L= 2, 6‐pyridinedicarboxaldehydebis (p‐iodophenyl‐imine), has been …
2CHCl3 (1), with L= 2, 6‐pyridinedicarboxaldehydebis (p‐iodophenyl‐imine), has been …
Probing the Electronic Properties and Interaction Landscapes in a Series of N-(Chlorophenyl)pyridinecarboxamides
JF Gallagher, N Hehir, P Mocilac, C Violin… - Crystal Growth & …, 2022 - ACS Publications
A 3× 3 isomer grid of nine N-(chlorophenyl) pyridinecarboxamides (NxxCl) is reported with
physicochemical studies and single crystal structures (Nx= pyridinoyl moiety; xCl …
physicochemical studies and single crystal structures (Nx= pyridinoyl moiety; xCl …
At the Interface of Isomorphous Behavior in a 3× 3 Isomer Grid of Monochlorobenzamides: Analyses of the Interaction Landscapes via Contact Enrichment Studies
JF Gallagher, M Farrell, N Hehir, P Mocilac… - Crystal Growth & …, 2019 - ACS Publications
The physicochemical properties of a 3× 3 isomer grid of mono-chlorobenzamides (Clxx) are
reported with comprehensive studies of their crystal structures and interaction environments …
reported with comprehensive studies of their crystal structures and interaction environments …
Isomeric and Isostructural Oligothienylsilanes–Structurally Similar, Physicochemically Different: The Effect of Interplay between C–H··· C (π), S··· C (π), and Chalcogen …
K Durka, K Gontarczyk, S Lulinski… - Crystal Growth & …, 2016 - ACS Publications
The solid state and solution properties of tris (2-thienyl) methylsilane, I, tetrakis (2-thienyl)
silane, III, and their positional isomers bearing 3-thienyl groups (II and IV) were investigated …
silane, III, and their positional isomers bearing 3-thienyl groups (II and IV) were investigated …
Could the “Janus‐like” properties of the halobenzene CX bond (X Cl, Br) be leveraged to enhance molecular recognition?
The CX bond in halobenzenes (X Cl, Br) exhibits a dual character, being electron‐deficient
along the CX direction, and electron‐rich on its flanks. We sought to amplify both features by …
along the CX direction, and electron‐rich on its flanks. We sought to amplify both features by …
Parallel Water/Aromatic Interactions of Non‐Coordinated and Coordinated Water
DZ Vojislavljević‐Vasilev, GV Janjić… - …, 2014 - Wiley Online Library
The parallel interactions of non‐coordinated and coordinated water molecules with an
aromatic ring were studied by analyzing data in the Cambridge structural database (CSD) …
aromatic ring were studied by analyzing data in the Cambridge structural database (CSD) …
[PDF][PDF] Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl) carbamate and 2-bromophenyl N-(pyridin-3-yl) carbamate monohydrates
P Mocilac, JF Gallagher - Acta Crystallographica Section E …, 2015 - journals.iucr.org
The title carbamate monohydrates, C13H12N2O2· H2O and C12H9BrN2O2· H2O, form
isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both …
isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both …