
%0 Journal Article
%A Grabowski, SJ 
%A Grabowski, SJ 
%A Wilamowski, J 
%A Wilamowski, J 
%A Osman, D 
%A Osman, D 
%A Sepiol, JJ 
%A Sepiol, JJ 
%A Rodier, N 
%A Rodier, N 
%T Synthesis, Crystal Structure and Intramolecular Interactions of 2-Methyl-3-(2-Methylphenyl)but-1-ene-1,1-dicarbonitrile (MMBD)
%J Australian Journal of Chemistry
%D 1996/09/01
%V 49
%N 9
%P 951-954
%K 
%R https://doi.org/10.1071/CH9960951
%U https://www.publish.csiro.au/paper/CH9960951 
%X 2-Methyl-3-(2-methylphenyl)but-1-ene-1,1-dicarbonitrile (MMBD) has been synthesized from 3-(o-tolyl)butan-2-one. The crystal and molecular structure of this compound was solved by X-ray diffraction, with estimated standard deviations &#8804; £ 0.005 &#506; for bond lengths, and &#8804; 0.3&#176; for bond angles. Intramolecular interactions of the C&#8801;N group, i.e. of the C-H...N, C-H...&#960; (electrons) and C-H...C type, were observed, and the possibility of weak intramolecular hydrogen bridges in the molecule of MMBD was considered. The geometry of the MMBD molecule from AM1 calculations was compared with the X-ray structure. 
