Cytenamide acetic acid solvate

Andrea Johnston, A.J. Florence, F.J.A. Fabianni, K. Shankland, C.T. Bedford

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

In the crystal structure of the title compound (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide ethanoic acid solvate), C16H13NO·C2H4O2, the cytenamide and solvent molecules form a hydrogen-bonded R22(8) dimer motif, which is further connected to form a centrosymmetric double ring motif arrangement. The cycloheptene ring adopts a boat conformation and the dihedral angle between the least-squares planes through the two aromatic rings is 54.7 (2)°.
LanguageEnglish
Pages1175-1176
Number of pages1
JournalActa Crystallographica Section E: Structure Reports
Volume64
Issue number6
DOIs
Publication statusPublished - Jun 2008

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Boats
Dihedral angle
acetic acid
Acetic acid
Acetic Acid
Dimers
Conformations
Crystal structure
Hydrogen
Molecules
rings
boats
dihedral angle
dimers
acids
crystal structure
hydrogen
cytenamide
molecules

Keywords

  • single-crystal X-ray study
  • T = 160 K
  • mean (C–C) = 0.006 A°
  • R factor = 0.090
  • wR factor = 0.148
  • data-to-parameter ratio = 13.9

Cite this

Johnston, A., Florence, A. J., Fabianni, F. J. A., Shankland, K., & Bedford, C. T. (2008). Cytenamide acetic acid solvate. Acta Crystallographica Section E: Structure Reports, 64(6), 1175-1176. https://doi.org/10.1107/S160053680801550X
Johnston, Andrea ; Florence, A.J. ; Fabianni, F.J.A. ; Shankland, K. ; Bedford, C.T. / Cytenamide acetic acid solvate. In: Acta Crystallographica Section E: Structure Reports. 2008 ; Vol. 64, No. 6. pp. 1175-1176.
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Johnston, A, Florence, AJ, Fabianni, FJA, Shankland, K & Bedford, CT 2008, 'Cytenamide acetic acid solvate' Acta Crystallographica Section E: Structure Reports, vol. 64, no. 6, pp. 1175-1176. https://doi.org/10.1107/S160053680801550X

Cytenamide acetic acid solvate. / Johnston, Andrea; Florence, A.J.; Fabianni, F.J.A.; Shankland, K.; Bedford, C.T.

In: Acta Crystallographica Section E: Structure Reports, Vol. 64, No. 6, 06.2008, p. 1175-1176.

Research output: Contribution to journalArticle

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KW - single-crystal X-ray study

KW - T = 160 K

KW - mean (C–C) = 0.006 A°

KW - R factor = 0.090

KW - wR factor = 0.148

KW - data-to-parameter ratio = 13.9

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