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A redetermination of 2-(6-diethyl­amino-3-diethyl­iminio-3H-xanthen-9-yl)benzoate–ethyl gallate (1/1) at room temperature

The title compound, C(28)H(30)N(2)O(3)·C(9)H(10)O(5), is a well known red leuco complex of 2-(6-diethyl­amino-3-diethyl­iminio-3H-xanthene-9-yl)benzoate (rhodamine B base abbreviated to RBB: leuco dye) with ethyl gallate (EG: developer). The structure of the complex at room temperature has recently...

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Detalles Bibliográficos
Autores principales: Mizuguchi, Jin, Sato, Kazuyuki
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968829/
https://www.ncbi.nlm.nih.gov/pubmed/21582440
http://dx.doi.org/10.1107/S160053680900751X
Descripción
Sumario:The title compound, C(28)H(30)N(2)O(3)·C(9)H(10)O(5), is a well known red leuco complex of 2-(6-diethyl­amino-3-diethyl­iminio-3H-xanthene-9-yl)benzoate (rhodamine B base abbreviated to RBB: leuco dye) with ethyl gallate (EG: developer). The structure of the complex at room temperature has recently been reported by Sekiguchi, Takayama, Gotanda & Sano [(2007) Chem. Lett. 36, 1010–1011]. The RBB–EG complex forms a dimer (RBB⋯EG⋯EG⋯RBB) through inter­molecular O—H⋯O hydrogen bonds. In a subsequent re-examination of the structure at room temperature, we found the RBB mol­ecule to be disordered with a methyl group of one ethyl substituent of a diethyl­amino group at one extremity of the xanthene unit disordered over two positions [occupancies: 0.735 (5)/0.265 (5)]. Furthermore, at the other end of the xanthene residue, the entire diethyl­amino substituent (i.e. the N atom and the associated C and H atoms) was also disordered over two sites with occupancies 0.653 (7)/0.347 (7). This leads to four kinds of RBB conformations, which, in turn, results in the formation of 16 discrete RBB⋯EG⋯EG⋯RBB dimers in the crystal.