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Synthesis and crystal structure of 1,1-dimethoxy-4-phenylamino-4-methylthio-3-buten-2-one

Lookup NU author(s): Professor Mohammad Habibi, Dr Hosein Loghmani-Khouzani, Professor Majid Sadeghi, Dr Ross Harrington, Emeritus Professor Bill CleggORCiD


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The crystal structure of 1,1-dimethoxy-4-phenylamino-4-methylthio-3-buten-2-one (1), C13H17NO3S, was detd. The title compd. is packed in columns along the a axis. The C(4), C(5), C(6) and N atoms in the structure are coplanar and pi-delocalization exists in 1. The tautomer enamino ketone of 1 is stabilized by pi-delocalization and intramol. H bond. [on SciFinder (R)]

Publication metadata

Author(s): Habibi MH, Loghmani-Khouzani H, Sadeghi MM, Harrington RW, Clegg W, Ghorbani MH

Publication type: Article

Publication status: Published

Journal: Analytical Sciences: X-Ray Structure Analysis Online

Year: 2006

Volume: 22

Issue: 12

Pages: x283-x284

ISSN (electronic): 1348-2238

Publisher: Nihon Bunseki Kagakkai


DOI: 10.2116/analscix.22.x283

Notes: CAN 146:481773 25-4 Benzene, Its Derivatives, and Condensed Benzenoid Compounds Department of Chemistry,The University of Isfahan,Esfahan,Iran. Journal; Online Computer File 1348-2238 written in English. 191017-09-1 Role: RCT (Reactant), RACT (Reactant or reagent) (condensation reaction with aniline); 62-53-3 (Aniline) Role: RCT (Reactant), RACT (Reactant or reagent) (condensation reaction with di-Me thioacetals); 936023-62-0P Role: PRP (Properties), SPN (Synthetic preparation), PREP (Preparation) (crystal structure; prepn. and structure of)


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