Polymorphism and CNNC Conformational Isomers of Azines: X‐ray Crystal and Ab Initio Structures of Two Rotational Isomers of Methyl ( para ‐Tolyl) Ketone Azine | Zendy

Chen Grace Shiahuy | Zendy; Anthamatten Mitchell | Zendy; Barnes Charles L. | Zendy; Glaser Rainer | Zendy

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Polymorphism and CNNC Conformational Isomers of Azines: X‐ray Crystal and Ab Initio Structures of Two Rotational Isomers of Methyl ( para ‐Tolyl) Ketone Azine

Author(s) -

Chen Grace Shiahuy,

Anthamatten Mitchell,

Barnes Charles L.,

Glaser Rainer

Publication year - 1994

Publication title -

angewandte chemie international edition in english

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 0570-0833

DOI - 10.1002/anie.199410811

Subject(s) - azine , ab initio , ketone , chemistry , crystal structure , crystallography , quantum chemical , aryl , conformational isomerism , polymorphism (computer science) , stereochemistry , computational chemistry , molecule , medicinal chemistry , organic chemistry , alkyl , biochemistry , genotype , gene

Conjugative effects are not significant for the conformation of diaryl‐substituted azines such as 1 —whether within the azine unit or between the aryl substituents and the azine or imino units. This was the conclusion of studies of X‐ray crystal structures and quantum chemical calculations.

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