2-[(Cyclopenta-1,3-dien-2-yl)diphenylmethyl]-1-methyl-1H-imidazole

Sun, Q.; Nie, W.; Borzov, M.V.

Информация о цитировании статьи получена из Web of Science, Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 6 декабря 2018 г.

Авторы: Sun Qi, Nie Wanli, Borzov Maxim V.
Журнал: Acta Crystallographica Section E: Structure Reports Online
Том: 66
Номер: 2
Год издания: 2010
Издательство: Blackwell Publishing Inc.
Местоположение издательства: United Kingdom
Первая страница: o285
Последняя страница: o286
DOI: 10.1107/S1600536809055561
Аннотация: The title compound, C22H20N2, (Ib), forms along with 2-[(cyclopenta-1,3-dien-1-yl)diphenylmethyl]-1-methyl-1H-imidazole, (Ia), which differs with respect to the position of the double-bonds in the C5H5 ring, in an approximately 3:7 ratio (Ia:Ib; NMR spectroscopy data). However, in a single crystal, only compound (Ib) is present. H atoms of the CH2 group (C5H5 ring) were found from the difference Fourier synthesis and refined isotropically using the riding model. Hypothesis on possible presence of the (Ia) isomer in crystal lattice (model with a C5H5 ring disordered between two positions) was especially checked and rejected due to its inconsistency. In the crystal structure, no significant hydrogenbonding interactions between the CH2 groups of the C5H5 rings and nonsubstituted N-atoms of the imidazole rings were observed. Despite the fact that the chemically achiral compound (I) crystallizes in a chiral space group P2(1)2(1)2(1), neither the absolute structure determination nor assignment of the inversion twinning was possible in the absence of a heavy atom.
Добавил в систему: Борзов Максим Владимирович

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