Crystal and Molecular Structures of Methylcytisine Nitro-Derivatives


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Abstract

Crystal structures of the two isomers N-methyl-11-nitro- and N-methyl-9-nitrocytisine (I and II) were investigated in detail using a combination of x-ray crystal structure analysis and quantum-chemical calculations. The unit cells of both isomers contained two symmetrically independent molecules. This fact was explained and reasons for the very substantial differences in the densities and melting points of crystals of the isomers were discussed.

About the authors

A. F. Smol’yakov

A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

Author for correspondence.
Email: smolxray@yandex.ru
Russian Federation, 28 Vavilova St., V-334, GSP-1, Moscow, 119991

V. A. Karnoukhova

A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

Email: smolxray@yandex.ru
Russian Federation, 28 Vavilova St., V-334, GSP-1, Moscow, 119991

S. V. Osintseva

A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

Email: smolxray@yandex.ru
Russian Federation, 28 Vavilova St., V-334, GSP-1, Moscow, 119991

P. R. Petrova

Bashkir State University, Ufa

Email: smolxray@yandex.ru
Russian Federation, Bashkortostan

A. V. Koval’skaya

Institute of Organic Chemistry, Ufa Scientific Center, Russian Academy of Sciences, Ufa

Email: smolxray@yandex.ru
Russian Federation, Bashkortostan

I. P. Tsypysheva

Institute of Organic Chemistry, Ufa Scientific Center, Russian Academy of Sciences, Ufa

Email: smolxray@yandex.ru
Russian Federation, Bashkortostan


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