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Analytical Sciences: X-ray Structure Analysis Online
Vol. 23 (2007) P x41-x42



Part 3

The crystal structure of a new benzoic acid cocrystal with a benzothiazole-based acceptor, 2-(benzothiazol-2-yl)-1-phenylethenyl benzoate (BEB), with the 1:1 stoichiometry, C7H6O2 + C22H15NO2S, has been determined. In the crystal lattice every benzoic acid molecule is associated to a (BEB) molecule via strong O-H…N and weak C-H…O intermolecular hydrogen bonds and two short intermolecular O-H…π contacts. In the structure of (BEB), due to an intra-molecular non-bonded S…O interaction, the intra-molecular S…O(1) non-bonded distance is shorter than the sum of the corresponding van der Waals radii and the Z configuration is preferred for the ethylenic double bond.

Copyright © 2007 by The Japan Society for Analytical Chemistry

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