Salazar-Mendoza, Domingo published the artcileMacrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based on N-Containing Boronic Acids, Application of Isoquinolin-5-ylboronic acid, the publication is Crystal Growth & Design (2013), 13(6), 2441-2454, database is CAplus.
A series of N-containing boronic esters have been prepared by combination of 3-pyridineboronic acid (3-pyba), 4-pyridineboronic acid (4-pyba), and 5-isoquinolineboronic acid (5-iqba) with ethanol, 1,2-ethanediol, and 1,3-propanediol. The resulting self-complementary tectons (SCTs) assembled further through N â?B bond formation to give one tetranuclear macrocyclic and four one-dimensional polymeric boron complexes: [(3-py)B(OEt)2]4 (2), [(3-py)B(OCH2CH2O)]n (3), [(4-py)B(OEt)2]n (4), [(5-iq)B(OCH2CH2O)]n (6), and [(5-iq)B(OCH2CH2CH2O)]n (7). In conjunction with the previously reported pentadecanuclear boroxine cage (1) and high-dimensional assemblies derived from pentaerythritol, [(4-py)B(OCH2)2C(CH2O)2B(4-py)]n·4nEtOH·nH2O·nC7H8 (5), and [(5-iq)B(OCH2)2C(CH2O)2B(5-iq)]n·nEtOH (8), it was shown that a single class of self-complementary boron-based tectons can give a varied series of finite and infinite supramol. aggregates. A comparative structural characterization of boron complexes 2–4 and 6–7 by single-crystal x-ray diffraction anal. and quantum-chem. calculations revealed that the corresponding SCTs could have been organized in all cases in the form of tetrameric macrocycles, as it occurred for 2, indicating that intermol. noncovalent interactions during crystallization probably play a significant role in the output of the assembly process and influence the formation of supramol. isomers. This observation was supported by a comparison of the mol. geometries of a series of tetranuclear macrocyclic and related linear oligomeric boronic esters derived from 3-pyba, 4-pyba, and 5-iqba, whose structures have been optimized by quantum-chem. calculations at the (B3LYP/cc-pVDZ) level of theory. The calculated structure of [(3-py)B(OEt)2]4 was in good agreement with the structure obtained exptl. by single-crystal x-ray diffraction anal. For the cyclo-tetramers derived from 3-pyba and 5-iqba, all common conformers known from calixarene chem. have been analyzed (cone, 1,3-alternate, 1,2-alternate, and partial cone), showing that the boronic ester group has a significant influence on their relative stability.
Crystal Growth & Design published new progress about 371766-08-4. 371766-08-4 belongs to isoquinoline, auxiliary class Isoquinoline,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is Isoquinolin-5-ylboronic acid, and the molecular formula is C9H8BNO2, Application of Isoquinolin-5-ylboronic acid.
Referemce:
https://en.wikipedia.org/wiki/Isoquinoline,
Isoquinoline | C9H7N – PubChem