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The dihedral angle of 2‐(trifluoromethyl)phenothiazine
Author(s) -
Phelps D. W.,
Cordes A. W.
Publication year - 1976
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.5570130344
Subject(s) - dihedral angle , chemistry , crystallography , trifluoromethyl , phenothiazine , hydrogen bond , molecule , molecular geometry , nitrogen atom , bond length , crystal structure , phenylene , crystal (programming language) , group (periodic table) , organic chemistry , medicine , alkyl , pharmacology , polymer , computer science , programming language
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°.