Literature DB >> 17873447

Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing.

Robert B Helmholdt1, Ed J Sonneveld, Christophe M L Vande Velde, Frank Blockhuys, Albrt T H Lenstra, Herman J Geise, René Peschar.   

Abstract

The crystal structures of C(4)Br(4)S and C(4)Br(4)Se have been determined from X-ray powder diffraction data, using direct-space search techniques. In the case of C(4)Br(4)S two crystalline phases occur, a stable orthorhombic and a metastable monoclinic phase. For the orthorhombic phase two different structural models were found that fit the experimental data equally well. The diversity in crystal structure models and packings of C(4)Br(4)S is explained.

Entities:  

Year:  2007        PMID: 17873447     DOI: 10.1107/S010876810703652X

Source DB:  PubMed          Journal:  Acta Crystallogr B        ISSN: 0108-7681


  2 in total

1.  2,3,4-Tribromo-thio-phene.

Authors:  Tony M Kuriger; Stephen C Moratti; Jim Simpson
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-03-14

2.  Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).

Authors:  Jacco van de Streek; Marcus A Neumann
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2014-12-01
  2 in total

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