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Dataset
Some thioether-ketones and their related derivatives
Feb 2025
DOI:
https://doi.org/10.17918/00010914
Abstract
Structural characteristics are reported for two thioether–ketones, Dtdpe and Mtdp [2-({2-[(2-oxo-2-phenylethyl)sulfanyl]ethyl}sulfanyl)-1-phenylethan-1-one, C18H18O2S2, and 2-[(2-oxo-2-phenylethyl)sulfanyl]-1-phenylethan-1-one, C16H14O2S], and for related derivatives, the bis(pyridylhydrazones) Dhpk and Prpsb [2-((2E)-2-{(2Z)-2-phenyl-2-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethylidene}hydrazin-1-yl)pyridine, C18H16N6, and 2-[(2Z,12Z)-3,12-diphenyl-14-(pyridin-2-yl)-5,10-dithia-1,2,13,14-tetraazatetradeca-2,12-dien-1-yl]pyridine, C30H32N6S2], as well as for the macrocyclic thiocarbohydrazide derivative Ctrsp [(3E,8Z)-3,9-dimethyl-1,11-dithia-4,5,7,8-tetraazacyclotetradeca-3,8-diene-6-thione, C10H18N4S3]. Three of the five compounds exhibit conformational enantiomerism in the solid state. The occurrence of intra- and intermolecular hydrogen bonding is commented upon through quantum mechanical (DFT) calculations. Weak C—H⋯S interactions are noted, while stronger N—H⋯N and N—H⋯S hydrogen bridges are delineated.
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Details
- Title
- Some thioether-ketones and their related derivatives
- Creators
- Molly A O'Connor - Drexel UniversityRaymond J. Butcher - Howard UniversityVitaly V. Pavlishchuk - L.V. Pisarzhevskii Institute of Physical ChemistryAnthony W. Addison - Drexel University, ChemistryAnna V. Pavlishchuk - L.V.Pisarzhevskii Institute of Physical Chemistry
- Resource Type
- Dataset
- Language
- English
- Academic Unit
- Chemistry
- Other Identifier
- 991021955715504721