rac-4-[4-Cyano-2-(hy­droxy­meth­yl)phen­yl]-4-(4-fluoro­phen­yl)-4-hy­droxy-N,N-dimethyl­butanaminium hemifumarate

In the title salt, C(20)H(24)FN(2)O(2) (+)·0.5C(4)H(2)O(4) (2−), the fumarate anion is located on an inversion centre. In the cation, the two benzene rings are nearly perpendicular to each other, making a dihedral angle of 87.41 (10)°. The cation is linked to the anion by a bifurcated N—H⋯O hydrogen...

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Detalles Bibliográficos
Autores principales: Wang, En-Ju, Chen, Guang-Ying
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051490/
https://www.ncbi.nlm.nih.gov/pubmed/21522976
http://dx.doi.org/10.1107/S1600536810054346
Descripción
Sumario:In the title salt, C(20)H(24)FN(2)O(2) (+)·0.5C(4)H(2)O(4) (2−), the fumarate anion is located on an inversion centre. In the cation, the two benzene rings are nearly perpendicular to each other, making a dihedral angle of 87.41 (10)°. The cation is linked to the anion by a bifurcated N—H⋯O hydrogen bond. Classical O—H⋯O and weak C—H⋯F hydrogen bonding is also present in the crystal structure. Three C atoms of the N,N-dimethyl­butanaminium moiety are disordered over two sites with refined site occupancies of 0.466 (14) and 0.534 (14).

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