A 1:1 cocrystal of 2,8‐bis(trifluoromethyl)quinolin‐4‐ol and 2,8‐bis(trifluoromethyl)quinolin‐4(1 H )‐one | Zendy

Sarojini B. K. | Zendy; Narayana B. | Zendy; Mayekar Anil N. | Zendy; Yathirajan H. S. | Zendy; Bolte Michael | Zendy

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A 1:1 cocrystal of 2,8‐bis(trifluoromethyl)quinolin‐4‐ol and 2,8‐bis(trifluoromethyl)quinolin‐4(1 H )‐one

Author(s) -

Sarojini B. K.,

Narayana B.,

Mayekar Anil N.,

Yathirajan H. S.,

Bolte Michael

Publication year - 2007

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536807053482

Subject(s) - trifluoromethyl , protonation , chemistry , molecule , cocrystal , ketone , hydrogen bond , crystallography , medicinal chemistry , alcohol , atom (system on chip) , stereochemistry , organic chemistry , ion , alkyl , computer science , embedded system

In the title compound, C 11 H 5 F 6 NO·C 11 H 5 F 6 NO, both molecules (except F and H atoms) are essentially planar (the r.m.s. deviations for all non‐H atoms are 0.008 and 0.034 Å for the alcohol and ketone, respectively). The two molecules are connected by an O—H...O hydrogen bond. The protonated N atom is shielded and therefore does not form a hydrogen bond. The F atoms of one trifluoromethyl group are disordered over two positions; the site occupancy factors are 0.88 and 0.12.

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