Reaction of isoniazid with benzoic acid, sebacic acid,
suberic
acid, and cinnamic acid results in formation of cocrystals. Two polymorphs
of isoniazid–suberic acid and two polymorphs of isoniazid–cinnamic
acid cocrystals were isolated. Crystal structure analysis shows the
presence of a pyridine–carboxylic acid synthon in the studied
cocrystals. The hydrazide group of isoniazid participates in N–H···O
and N–H···N hydrogen bond formation, producing
different supramolecular synthons. The stability study of isoniazid
cocrystals has been performed over a 22 week period. A comparison
of melting points of isoniazid–dicarboxylic acid 2:1 cocrystals
shows the decrease of melting point with an increasing length of the
acid. Solubility of isoniazid–carboxylic acid cocrystals tends
to increase with increasing solubility of the acid.
Luminescent carbene−metal−amide complexes bearing group 11 metals (Cu, Ag, Au) have recently attracted great attention due to their exceptional emission efficiency and high radiative decay rates (k r ). These materials provide a less costly alternative to organic light-emitting diode (OLED) emitters based on more scarce metals, such as Ir and Pt. Herein, a series of eight Cu(I) complexes bearing as yet unexplored 1,3thiazoline carbenes have been investigated and analyzed with respect to their light emission properties and OLED application. For the first time among the class of copper-based organometallic compounds the formation of efficient electroluminescent excimers is demonstrated. The prevalence of electroluminescence (EL) from either the monomer (bluish green) or the excimer (orange-red) can be adjusted in vacuum-deposited emissive layers by altering the extent of steric encumbrance of the emitter or its concentration. Optimized conditions in terms of the emitter structure and mass fraction allowed a simultaneous EL from the monomer and excimer, which laid the basis for a preparation of a single-emitter white OLED (WOLED) with external quantum efficiency of 16.5% and a maximum luminance of over 40000 cd m −2 . Wide overlapping emission bands of the monomer and excimer ensure a device color rendering index (CRI) of above 80. In such a way the prospects of copper complexes as cost-effective materials for lighting devices are demonstrated, offering expense reduction through a cheaper emissive component and a simplified device architecture.
The cyclization of substituted diaryl(hetaryl)alkynes with in‐situ‐prepared SeBr4 has been achieved. The use of an alkene additive as a bromine scavenger gives simple access to functionalized benzo[b]selenophene and selenophenothiophene derivatives from commercially available or easily accessible starting materials. The reactions can be performed in air without the use of moisture‐sensitive reagents, dry solvents, or an inert atmosphere. Mechanistic studies confirmed a regioselective anti 1,2‐addition in the selenobromination step, and a subsequent electrophilic substitution in the aromatic ring to complete the cyclization.
Analysis of crystal
structures, molecular properties, interaction
strength in solution, and computationally generated nonsolvated form
crystal structure landscapes of five chloronitrobenzoic acid isomers
and two additional 2-substituted 4-nitrobenzoic acids were used to
rationalize the obtained solvate landscape of these compounds. Screening
of the solid forms was performed for each of the compounds, and crystal
structures of the obtained nonsolvated forms and selected solvates
were determined. Molecular conformation, intermolecular interactions,
and packing efficiency of nonsolvated forms and solvates were analyzed
to understand factors contributing to structure stabilization and
determining the formation of the observed crystal structures. Computationally
generated crystal structure landscapes of nonsolvated forms were tested
for the possibility to predict the propensity to form solvates and
identify polymorphic compounds. It was observed that most of the solvates
were obtained with solvents acting as strong hydrogen bond acceptors
and/or able to form aromatic interactions. Solute–solvent association
Gibbs energy representing interaction strength was found to be the
most apparent identifiable factor explaining the solvate formation
of the studied compounds, and using this tool, the existence of 3
new multicomponent phases was successfully predicted.
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