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The dihedral angle of 2-(trifluoromethyl)phenothiazine

Authors :
A. W. Cordes
D. W. Phelps
Source :
Journal of Heterocyclic Chemistry. 13:625-627
Publication Year :
1976
Publisher :
Wiley, 1976.

Abstract

The structure of 2-(trifluoromethyl)phenothiazine, C13H8NSF3, was determined by single crystal X-ray diffraction. The molecule crystallizes in space group P212121, with a = 7.766(2), b = 5.957(1), and c = 23.499(5)A. The final R value is 0.073. The CSC bond angle is 102.0°, the CNC bond angle is 124.8°, and the dihedral angle between the phenylene planes is 171.2(1)°. The hydrogen atom bonded to the nitrogen atom was located; it is on the inside of the butterfly angle and the S…NH bond angle is 173.3°.

Details

ISSN :
0022152X
Volume :
13
Database :
OpenAIRE
Journal :
Journal of Heterocyclic Chemistry
Accession number :
edsair.doi...........767a0e73845d463bc06e02ac5fbaaa16
Full Text :
https://doi.org/10.1002/jhet.5570130344