Abstract
Language | English |
---|---|
Pages | 1215-1216 |
Number of pages | 2 |
Journal | Acta Crystallographica Section E: Structure Reports |
Volume | 64 |
Issue number | 7 |
DOIs | |
Publication status | Published - Jul 2008 |
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Keywords
- parallel crystallization
- packing motifs
- carbamazepine
- patterns
- 10
- 11-dihydrocarbamazepine
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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 -