Novel 1:1 cocrystal of Benzoic acid and 2-(benzothiazol-2-yl)-1-phenylethenyl benzoate

  1. Lookup NU author(s)
  2. Dr Hosein Loghmani-Khouzani
  3. Professor Majid Sadeghi
  4. Professor Mohammad Habibi
  5. Dr Ross Harrington
  6. Emeritus Professor Bill Clegg
Author(s)Loghmani-Khouzani H, Sadeghi MM, Habibi MH, Harrington RW, Clegg W, Ghorbani MH
Publication type Article
JournalAnalytical Sciences. X-ray Structure Analysis Online
ISSN (print)1348-2238
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The crystal structure of a new HOBz cocrystal with a benzothiazole-based acceptor, 2-(benzothiazol-2-yl)-1-phenylethenyl benzoate (BEB), with the 1:1 stoichiometry, C7H6O2 + C22H15NO2S, was detd. Crystallog. data and at. coordinates are given. In the crystal lattice every HOBz mol. is assocd. to a (BEB) mol. via strong O-H.N and weak C-H.O intermol. H bonds and two short intermol. O-H.pi contacts. In the structure of (BEB), due to an intramol. nonbonded S.O interaction, the intra-mol. S.O(1) nonbonded distance is shorter than the sum of the corresponding van der Waals radii and the Z configuration is preferred for the ethylenic double bond. [on SciFinder (R)]
PublisherNihon Bunseki Kagakkai
NotesCAN 148:414819 75-8 Crystallography and Liquid Crystals Department of Chemistry,The University of Isfahan,Esfahan,Iran. Journal; Online Computer File 1348-2238 written in English. 1015842-54-2 Role: PRP (Properties) (crystal structure of)
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