Cytenamide trifluoroacetic acid solvate

Andrea Johnston, Alastair J. Florence, Francesca J. A. Fabianni, Kenneth Shankland, Colin T. Bedford, Julie Bardin

Research output: Contribution to journal › Article

3 Citations (Scopus)
34 Downloads (Pure)

Abstract

Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO·C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked by O-HO and N-HO hydrogen bonds to form an R22(8) motif. The trifluoromethyl group of the solvent molecule displays rotational disorder over two sites, with site-occupancy factors of 0.964 (4) and 0.036 (4).
Original languageEnglish
Pages (from-to)1215-1216
Number of pages2
JournalActa Crystallographica Section E: Structure Reports
Volume64
Issue number7
DOIs
Publication statusPublished - Jul 2008

Keywords

  • parallel crystallization
  • packing motifs
  • carbamazepine
  • patterns
  • 10
  • 11-dihydrocarbamazepine

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    • Projects

    Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

    Murphy, J., Coombs, G., Ferguson, A. & Florence, A.

    Scottish Funding Council SFC, EPSRC (Engineering and Physical Sciences Research Council)

    1/09/07 → 30/10/12

    Project: Research

    • Cite this

    Johnston, A., Florence, A. J., Fabianni, F. J. A., Shankland, K., Bedford, C. T., & Bardin, J. (2008). Cytenamide trifluoroacetic acid solvate. Acta Crystallographica Section E: Structure Reports, 64(7), 1215-1216. https://doi.org/10.1107/S1600536808016577