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4-(4-Chloro-phen-yl)-1-[3-(4-fluoro-benzo-yl)prop-yl]-4-hydroxy-piperidin-1-ium 2,4,6-trinitro-phenolate (haloperidol picrate).

ABSTRACT: In the title salt, C(21)H(24)ClFNO(2) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the aromatic rings in the cation is 16.5?(1)°. The piperidium ring adopts a slightly distorted chair conformation. Strong hydrogen-bonding inter-actions occur between the N-H and O-H functions of the 4-hydroxy-piperidin-1-ium ring and the phenolate and p-NO(2) O atoms of the picrate anion. In addition, a variety of weak C-H?O and ?-? ring inter-actions between cations and cation-anion neighbors [centroid-centroid distances = 3.597?(1) and 3.848?(10)?Å] further consolidate the packing.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC2970318 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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4-(4-Chloro-phen-yl)-1-[3-(4-fluoro-benzo-yl)prop-yl]-4-hydroxy-piperidin-1-ium 2,4,6-trinitro-phenolate (haloperidol picrate).

Jasinski Jerry P JP   Butcher Ray J RJ   Hakim Al-Arique Q N M QN   Yathirajan H S HS   Narayana B B  

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

In the title salt, C(21)H(24)ClFNO(2) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the aromatic rings in the cation is 16.5 (1)°. The piperidium ring adopts a slightly distorted chair conformation. Strong hydrogen-bonding inter-actions occur between the N-H and O-H functions of the 4-hydroxy-piperidin-1-ium ring and the phenolate and p-NO(2) O atoms of the picrate anion. In addition, a variety of weak C-H⋯O and π-π ring inter-actions between cations and cation-anion neighbors [centroid-c  ...[more]

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