Synthesis, conformational parameters and packing considerations of methyl bispyridyl ketones

التفاصيل البيبلوغرافية
العنوان: Synthesis, conformational parameters and packing considerations of methyl bispyridyl ketones
المؤلفون: Christian Weck, Felix Katzsch, Tobias Gruber
بيانات النشر: Elsevier, 2015.
سنة النشر: 2015
مصطلحات موضوعية: chemistry.chemical_classification, Ketone, Chemistry, Stereochemistry, Organic Chemistry, Heteroatom, F130 Structural Chemistry, Crystal structure, Bromine atom, Analytical Chemistry, law.invention, Inorganic Chemistry, Residue (chemistry), Crystallography, law, Melting point, Molecule, Crystallization, Spectroscopy
الوصف: The crystal structures of two bispyridyl ketones featuring either two methyl residues or one methyl and one bromomethyl residue, respectively, are presented. In order to elucidate the influence of the substituents, a comprehensive comparison with the non-methylated mother compound has been performed. A special focus lies thereby on the relative position of the heteroatoms and their free electron pairs. The two methyl groups at the bispyridyl ketone result in two molecules in the asymmetric unit adopting rather different conformations. Due to the fast crystallization conditions and a melting point differing from the literature, a polymorph close to a local minimum in the energy hypersurface seems possible. After introducing a bromine atom to one of the two methyl groups, the molecular conformation is very similar to the unsubstituted molecule. The packing of both title compounds is dominated by weak contacts of the C–H⋯π and C–H⋯Y type (Y = O, N) and C–H⋯Br- and Br⋯π-contacts for the brominated molecule.
وصف الملف: application/pdf
اللغة: English
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1800ae1fba8ed9c6e6a1838bf549351aTest
https://eprints.lincoln.ac.uk/id/eprint/19678/2/weck_resubmisson.pdfTest
حقوق: OPEN
رقم الانضمام: edsair.doi.dedup.....1800ae1fba8ed9c6e6a1838bf549351a
قاعدة البيانات: OpenAIRE