Intermolecular Hydrogen and Halogen Bonds in Fluorinated Benzimidazoles
نویسندگان
چکیده
منابع مشابه
Designing ternary cocrystals with hydrogen bonds and halogen bonds.
A graded selection of hydrogen bonds and halogen bonds allows for the isolation of 2 : 1 : 1 ternary cocrystals of the general form 4-nitrobenzamide : diacid : 1,4-dihalogenated benzene, which are mediated by the amide-acid and I···O2N supramolecular synthons.
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Ab initio EOM-CCSD calculations have been performed to determine one- and two-bond spin-spin coupling constants 1J(F-Cl), 1XJ(Cl-N), and 2XJ(F-N) across F-Cl...N halogen bonds in complexes with F-Cl as the Lewis acid and N2, FCN, HCN, (CH3)CN, LiCN, Z-HNNH, H2CNH, NH2F, NH3, cyclic-NH(CH2)2, and NH2(CH3) as Lewis bases. The structures of these complexes were optimized at MP2 with the aug'-cc-pV...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2014
ISSN: 2053-2733
DOI: 10.1107/s2053273314093565