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1-(2-Hydroxyethyl)-4-{3-[(E)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazine-1,4-diium bis(3-carboxyprop-2-enoate)
In the title salt, C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (−), a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the –CF(3) group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic r...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213470/ https://www.ncbi.nlm.nih.gov/pubmed/22091049 http://dx.doi.org/10.1107/S160053681102722X |
Sumario: | In the title salt, C(23)H(27)F(3)N(2)OS(+)·2C(4)H(3)O(4) (−), a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the –CF(3) group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit, whose thiopyran ring has a screw-boat conformation, is 33.01 (9)°. The diprotonated piperazine ring adopts a chair conformation. In the crystal, intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds between neighboring molecules form zigzag chains along the a axis and contribute to the stabilization of the packing. |
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