Formula: C6Cl2N4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about New second-order nonlinear optical organic crystals. Author is Donald, D. S.; Cheng, L. T.; Desiraju, G.; Meredith, G. R.; Zumsteg, F. C..
The design of mol. crystals with specific optical properties, which are thought to arise from constituent mols.’ polarizability properties, is a desirable but currently unachievable goal. One can partially achieve this goal by choosing compounds with specific mol. attributes and empirically determining the manner in which these are translated into crystal properties. Besides the fact that there are no certain rules for prediction of crystal packing arrangements, where is also a problem in specifying mol. properties from what are today incomplete polarizability structure-property relationships. We have, realizing these limitations, identified polarizability structure-property relationships. We have, realizing these limitations, identified new mol. crystals by a nonlinear optical (powder-SHG) scouting-screening program from lists of compounds chosen because of desirable mol. properties. Examination of successful materials has revealed interesting, new alignment motifs. Some of these materials, a set of halogen and cyano derivatives of aromatic compounds, are described relating properties and structures of mols. and crystals. In particular, the orientation directing influence of intermol. halogen-cyano interactions and the use of heterocyclic compounds to improve transparency in the near IR and in the blue and near UV spectral regions are demonstrated.
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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate