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Structure of 2-(2′-bromo-5′-nitrostyryl)benzothiazole

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Abstract

The title compound C15H9BrN2O2S (brnsb) is monoclinic, witha=7.730(2),b=26.847(5),c=7.773(2) Å,β=117.48(1)°,V=1431(1) Å3,Z=4,D x=1.677,μ(MoKα)=29.9 cm−1,F(000)=720,T=298K in space groupP21/c. The structure was solved by heavy atom and Fourier methods and refined toR=0.034 for 1776 unique observed reflections. The molecule is nearly planar, with a dihedral angle of only 3.8(1.1)° between the benzothiazole and phenyl rings. The C-S-C angle in the thiazole ring is 89.0°, while the C-N-C angle in that ring is 111.5(3)°.

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Authors and Affiliations

  1. Departments of Chemistry and Physics, University of Puerto Rico, Río Piedras, 00931, Puerto Rico

    James A. Muir, Osvaldo Cox, Luis A. Bernard & Mariel M. Muir

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  1. James A. Muir
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  2. Osvaldo Cox
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  3. Luis A. Bernard
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  4. Mariel M. Muir
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Muir, J.A., Cox, O., Bernard, L.A. et al. Structure of 2-(2′-bromo-5′-nitrostyryl)benzothiazole. Journal of Crystallographic and Spectroscopic Research 22, 695–697 (1992). https://doi.org/10.1007/BF01160988

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  • DOI: https://doi.org/10.1007/BF01160988

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