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Journal article
Some thioether-ketones and their related derivatives
Acta crystallographica. Section E, Crystallographic communications, v 81(6)
01 Jun 2025
PMID: 40487687
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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, C 18 H 18 O 2 S 2 , and 2-[(2-oxo-2-phenylethyl)sulfanyl]-1-phenylethan-1-one, C 16 H 14 O 2 S], and for related derivatives, the bis(pyridylhydrazones) Dhpk and Prpsb [2-((2 E )-2-{(2 Z )-2-phenyl-2-[2-(pyridin-2-yl)hydrazin-1-ylidene]ethylidene}hydrazin-1-yl)pyridine, C 18 H 16 N 6 , and 2-[(2 Z ,12 Z )-3,12-diphenyl-14-(pyridin-2-yl)-5,10-dithia-1,2,13,14-tetraazatetradeca-2,12-dien-1-yl]pyridine, C 30 H 32 N 6 S 2 ], as well as for the macrocyclic thiocarbohydrazide derivative Ctrsp [(3 E ,8 Z )-3,9-dimethyl-1,11-dithia-4,5,7,8-tetraazacyclotetradeca-3,8-diene-6-thione, C 10 H 18 N 4 S 3 ]. 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 UniversityAnna V. Pavlishchuk - L.V. Pisarzhevskii Institute of Physical ChemistryRaymond J. Butcher - Howard UniversityVitaly V. Pavlishchuk - L.V. Pisarzhevskii Institute of Physical ChemistryAnthony W. Addison - Drexel University, Chemistry
- Publication Details
- Acta crystallographica. Section E, Crystallographic communications, v 81(6)
- Publisher
- INT UNION CRYSTALLOGRAPHY
- Number of pages
- 10
- Grant note
- Drexel UniversityHoward UniversityNational Science Foundation Major Research Instrumentation program: NSF DMR-2117502
RJB thanks George Washington University for Bruker APEXII diffractometer access, while MAO and AWA acknowledge support by Drexel University. We thank Howard University and the National Science Foundation Major Research Instrumentation program (NSF DMR-2117502) for financially supporting the acquisition of the Rigaku Synergy-S single-crystal X-ray diffractometer used in this study.
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:001506204700015
- Scopus ID
- 2-s2.0-105007919942
- Other Identifier
- 991022052938304721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Crystallography