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Title: Some thioether-ketones and their related derivatives
Structural characteristics are reported for two thioether–ketones,DtdpeandMtdp[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)DhpkandPrpsb[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 derivativeCtrsp[(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.  more » « less
Award ID(s):
2117502
PAR ID:
10656169
Author(s) / Creator(s):
; ; ; ;
Publisher / Repository:
International Union of Crystallography
Date Published:
Journal Name:
Acta Crystallographica Section E Crystallographic Communications
Volume:
81
Issue:
6
ISSN:
2056-9890
Page Range / eLocation ID:
520 to 529
Subject(s) / Keyword(s):
crystal structure thio­ether ketones derivatives intra- and inter­molecular hydrogen bonding
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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