Journal of Molecular Structure

Preparations, crystal structures and DFT calculations of novel diacetylenes incorporating ynamine moieties

Y Tokutome, N Kubo, T Okuno

Index: Tokutome, Yui; Kubo, Natsuki; Okuno, Tsunehisa Journal of Molecular Structure, 2012 , vol. 1029, p. 135 - 141

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Citation Number: 2

Abstract

Two diacetylene molecules incorporating an ynamine moiety, 5-(diphenylamino)-2, 4- pentadiyne-1-ol (1) and 6-(diphenylamino)-2-methylhexa-3, 5-diyn-2-ol (2), were prepared and characterized by single crystal X-ray diffraction, 1H and 13C NMR. The crystal structures of 1 and 2 were solved successfully and were interpreted to be controlled mainly by the intermolecular hydrogen-bondings. The difference in the crystal structures between 1 and ...