A 2,2′-bipyridyl calcium complex: synthesis, structure and reactivity studies
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The first example of a 2,2′-bipyridyl radical calcium complex, [CH 3 C(N-2,6- i Pr 2 C 6 H 3 )CHC(CH 3 )NCH 2 CH 2 N(CH 3 ) 2 ]Ca(bipy)(THF), was prepared and characterized and was shown to react as a calcium( i ) synthon.Keywords:
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In this review, the synthesis and use of the primary synthons SF5X (X = F, Cl, Br, SF5) in forming organic derivatives of SF6 will be described. We have found that using primary SF5X synthons, convenient pathways exist for preparing secondary synthons that include SF5 - alkanes, alkenes, alkynes, iodides and aromatics. The primary synthons also offer pathways for preparing and studying the reactive SF5+, SF6-, and SF5· intermediates.
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IR spectroscopy has been widely employed to distinguish between different crystal forms such as polymorphs, clathrates, hydrates and co-crystals. IR has been used to monitor co-crystal formation and single synthon detection. In this work, we have developed a strategy to identify multiple supramolecular synthons in polymorphs and co-crystals with this technique. The identification of multiple synthons in co-crystals with IR is difficult for several reasons. In this paper, a four step method involving well assigned IR spectral markers that correspond to bonds in a synthon is used. IR spectra of three forms of the co-crystal system, 4-hydroxybenzoic acid:4,4′-bipyridine (2 : 1), show clear differences that may be attributed to differences in the synthon combinations existing in the forms (synthon polymorphism). These differences were picked out from the three IR spectra and the bands analysed and assigned to synthons. Our method first identifies IR marker bands corresponding to (covalent) bonds in known/model crystals and then the markers are mapped in known co-crystals having single synthons. Thereafter, the IR markers are queried in known co-crystals with multiple synthons. Finally they are queried in unknown co-crystals with multiple synthons. In the last part of the study, the N–H stretching absorptions of primary amides that crystallize with the amide dimers linked in a ladder like chain show two specific absorptions which are used as marker absorptions and all variations of this band structure have been used to provide details on the environment around the dimer. The extended dimer can accordingly be easily distinguished from the isolated dimer.
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A mathematical model of the synthon is suggested. The term synthon is used to denote one or several molecules or their part(s) with free valences. The notion of isomeric synthons on a set of atoms A and that of the Family of Isomeric Synthons FIS(A) are introduced. Matrix operators are defined for modelling the elementary steps of reorganization of electrons during reactions. A new notion of the reaction distance of isomeric synthons is introduced as the smallest number of elementary steps of reorganization of electrons during the reaction transforming one synthon into another.
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Abstract Dibromide (I) is used as a convenient common synthon for the preparation of the title dicarboxaldehydes (IV), (VII), (X), and (XV), which represent promising electron‐rich building blocks for the development of arylenevinylene‐based organic semiconductors.
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Supramolecular synthons in crystals are structural units formed with intermolecular interactions. The assembly of an organic crystal is not just a geometrical interlinking with synthons but is often the consequence of compromise or mutual interference between adjacent synthons. Accordingly, synthon interference can be a major problem in systematic crystal engineering especially if it results in a lack of correspondence between molecular and crystal structures. Conversely, synthon robustness or the capacity to withstand interference is an essential attribute in crystal structure design. These ideas are illustrated with reference to the structural chemistry of a series of 1,4-disubstituted 2,3-dicyano-5,6-dichlorobenzenes and related compounds. The supramolecular synthons in this structural family are constructed with polarization-induced C⋮N···Cl interactions. Synthon interference is analyzed in terms of the trade-off between these interactions on the one hand and hydrophobic and CH···N interactions on the other. Topological relationships between these C⋮N···Cl synthons and others containing stronger hydrogen bond interactions lead to similarities in the networks formed in the crystal structures of compounds, which at the molecular level, are widely disparate.
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For the first time, the concept of supramolecular synthons was applied to giant rigid superspheres based on pentaphosphaferrocene [CpRFe(η5-P5)] (R = Me, Et) and Cu(I) halides, which reach 2.1–3.0 nm in diameter. Two supramolecular synthons, σ–π and π–π, are discovered based on halogen···CpR and Cp*···Cp* specific interactions, respectively. The geometry of the synthons is reproducible in a series of crystal structures of various supramolecules. The σ–π synthon alone is realized more frequently for Br-containing superspheres. A combination of the σ–π and π–π synthons is more typical for Cl-containing supramolecules. Each supramolecule can bear up to nine synthons to give mostly 2D and 3D architectures.
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The NO2···I supramolecular synthon is a halogen bonded recognition pattern that is present in the crystal structures of many compounds that contain these functional groups. These synthons have been previously distinguished as P, Q, and R types using topological and geometrical criteria. A five step IR spectroscopic sequence is proposed here to distinguish between these synthon types in solid samples. Sets of known compounds that contain the P, Q, and R synthons are first taken to develop IR spectroscopic identifiers for them. The identifiers are then used to create graded IR filters that sieve the synthons. These filters contain signatures of the individual NO2···I synthons and may be applied to distinguish between P, Q, and R synthon varieties. They are also useful to identify synthons that are of a borderline character, synthons in disordered structures wherein the crystal structure in itself is not sufficient to distinguish synthon types, and in the identification of the NO2···I synthons in compounds with unknown crystal structures. This study establishes clear differences for the three different geometries P, Q, and R and in the chemical differences in the intermolecular interactions contained in the synthons. Our IR method can be conveniently employed when single crystals are not readily available also in high throughput analysis. It is possible that such identification may also be adopted as an input for crystal structure prediction analysis of compounds with unknown crystal structures.
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The propensity of carboxyl⋯pyridyl synthon is more than carboxyl⋯pyridyl N-oxide synthon, but carboxyl⋯pyridyl N-oxide synthon forms shorter hydrogen bond than carboxyl⋯pyridyl synthon. Carboxyl⋯pyridyl N-oxide synthon containing systems might show better solubility than the corresponding carboxyl⋯pyridyl synthon containing systems.
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Reactions with diverse C1 synthons to realize homologation were well explored. However, homologations occurring twice with one C1 synthon in a reaction were less reported. We disclose herein a Cu(II)-catalyzed novel and efficient synthesis of 2H-chromenes from 2-naphthols, 1,3-diketones, and N,N-dimethylethanolamine (DMEA) as a dual carbon synthon. Various 2H-chromenes with different functional groups are constructed in moderate to good yields. This is the first report that DMEA acts as a dual C1 synthon.
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Carbon fibers
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