Crystal and Molecular Structures of Methylcytisine Nitro-Derivatives


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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.

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A. Smol’yakov

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

编辑信件的主要联系方式.
Email: smolxray@yandex.ru
俄罗斯联邦, 28 Vavilova St., V-334, GSP-1, Moscow, 119991

V. Karnoukhova

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

Email: smolxray@yandex.ru
俄罗斯联邦, 28 Vavilova St., V-334, GSP-1, Moscow, 119991

S. Osintseva

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

Email: smolxray@yandex.ru
俄罗斯联邦, 28 Vavilova St., V-334, GSP-1, Moscow, 119991

P. Petrova

Bashkir State University, Ufa

Email: smolxray@yandex.ru
俄罗斯联邦, Bashkortostan

A. Koval’skaya

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

Email: smolxray@yandex.ru
俄罗斯联邦, Bashkortostan

I. Tsypysheva

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

Email: smolxray@yandex.ru
俄罗斯联邦, Bashkortostan

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