The dihedral angle of 2‐(trifluoromethyl)phenothiazine | Zendy

Phelps D. W. | Zendy; Cordes A. W. | Zendy

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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°.

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