Novel 1:1 Cocrystal of Benzoic Acid and 2-(Benzothiazol-2-yl)-1-phenylethenyl Benzoate

抄録

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.