The dihedral angle of 2‐(trifluoromethyl)phenothiazine
1976; Wiley; Volume: 13; Issue: 3 Linguagem: Inglês
10.1002/jhet.5570130344
ISSN1943-5193
AutoresDaniel W. Phelps, A. W. Cordes,
Tópico(s)Quinazolinone synthesis and applications
ResumoAbstract The structure of 2‐(trifluoromethyl)phenothiazine, C 13 H 8 NSF 3 , was determined by single crystal X‐ray diffraction. The molecule crystallizes in space group P2 1 2 1 2 1 , with a = 7.766(2), b = 5.957(1), and c = 23.499(5)Å. 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°.
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