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

Lookup NU author(s): Dr Hosein Loghmani-Khouzani, Professor Majid Sadeghi, Professor Mohammad Habibi, Dr Ross Harrington, Emeritus Professor Bill Clegg

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Abstract

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)]


Publication metadata

Author(s): Loghmani-Khouzani H, Sadeghi MM, Habibi MH, Harrington RW, Clegg W, Ghorbani MH

Publication type: Article

Journal: Analytical Sciences. X-ray Structure Analysis Online

Year: 2007

Volume: 23

Issue: 3

Pages: x41-x42

ISSN (print): 1348-2238

Publisher: Nihon Bunseki Kagakkai

URL: http://dx.doi.org/10.2116/analscix.23.x41

DOI: 10.2116/analscix.23.x41

Notes: CAN 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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