The X-ray Structures of 2,4-Dibromothiazole and 2,4-diacetyl-5-bromothiazole

Kati Marianne Aitken, R Alan Aitken, Callum I. MacGregor, Mohamed D. M. Traore, Alexandra Martha Zoya Slawin

Research output: Contribution to journalArticlepeer-review

2 Citations (Scopus)

Abstract

2,4-Dibromothiazole [orthorhombic, a = 6.700(10), b = 16.21(3), c = 5.516(8) Å, space group Fmm2] shows a disordered crystal structure with molecules randomly oriented with respect to the direction of the Br–C(2)–N–C(2)–Br unit and the remaining ring atoms S(3) and C(3)H showing mixed occupancy. 2,4-Diacetyl-5-bromothiazole [triclinic, a = 4.040(2), b = 8.254(5), c = 13.208(8) Å, α = 96.191(17), β = 93.865(16), γ = 94.067(11) °, space group P-1] shows a structure dominated by halogen bonding, intramolecular between 4-COMe and 5-Br and intermolecular between 2-COMe of one molecule and 5-Br of the next.
Original languageEnglish
Pages (from-to)461-465
Number of pages5
JournalJournal of Chemical Crystallography
Volume45
Issue number10-12
Early online date16 Nov 2015
DOIs
Publication statusPublished - Dec 2015

Keywords

  • Thaizole
  • Bromothiazole
  • Disorder
  • Halogen bonding

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