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)

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).
LanguageEnglish
Pages1215-1216
Number of pages2
JournalActa Crystallographica Section E: Structure Reports
Volume64
Issue number7
DOIs
Publication statusPublished - Jul 2008

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Trifluoroacetic acid
Trifluoroacetic Acid
acids
Molecules
molecules
Hydrogen bonds
disorders
hydrogen bonds
cytenamide

Keywords

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

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
Johnston, Andrea ; Florence, Alastair J. ; Fabianni, Francesca J. A. ; Shankland, Kenneth ; Bedford, Colin T. ; Bardin, Julie. / Cytenamide trifluoroacetic acid solvate. In: Acta Crystallographica Section E: Structure Reports. 2008 ; Vol. 64, No. 7. pp. 1215-1216.
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title = "Cytenamide trifluoroacetic acid solvate",
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).",
keywords = "parallel crystallization, packing motifs, carbamazepine, patterns, 10, 11-dihydrocarbamazepine",
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Johnston, A, Florence, AJ, Fabianni, FJA, Shankland, K, Bedford, CT & Bardin, J 2008, 'Cytenamide trifluoroacetic acid solvate' Acta Crystallographica Section E: Structure Reports, vol. 64, no. 7, pp. 1215-1216. https://doi.org/10.1107/S1600536808016577

Cytenamide trifluoroacetic acid solvate. / Johnston, Andrea; Florence, Alastair J.; Fabianni, Francesca J. A.; Shankland, Kenneth; Bedford, Colin T.; Bardin, Julie.

In: Acta Crystallographica Section E: Structure Reports, Vol. 64, No. 7, 07.2008, p. 1215-1216.

Research output: Contribution to journal › Article

TY - JOUR

T1 - Cytenamide trifluoroacetic acid solvate

AU - Johnston, Andrea

AU - Florence, Alastair J.

AU - Fabianni, Francesca J. A.

AU - Shankland, Kenneth

AU - Bedford, Colin T.

AU - Bardin, Julie

PY - 2008/7

Y1 - 2008/7

N2 - 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).

AB - 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).

KW - parallel crystallization

KW - packing motifs

KW - carbamazepine

KW - patterns

KW - 10

KW - 11-dihydrocarbamazepine

U2 - 10.1107/S1600536808016577

DO - 10.1107/S1600536808016577

M3 - Article

VL - 64

SP - 1215

EP - 1216

JO - Acta Crystallographica Section E: Structure Reports

T2 - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

SN - 1600-5368

IS - 7

ER -

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

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