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Selective crystallization of indigo B by a modified sublimation method and its redetermined structure
Good-quality single crystals of the title compound, indigo B [systematic name: 2-(3-oxoindolin-2-ylidene)indolin-3-one], C(16)H(10)N(2)O(2), have been prepared with high selectivity by a sublimation process. The previous structure of indigo B [Süsse & Wolf (1980 ▶). Naturwissenschaften, 67, 453...
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/PMC3247602/ https://www.ncbi.nlm.nih.gov/pubmed/22219907 http://dx.doi.org/10.1107/S1600536811040220 |
Sumario: | Good-quality single crystals of the title compound, indigo B [systematic name: 2-(3-oxoindolin-2-ylidene)indolin-3-one], C(16)H(10)N(2)O(2), have been prepared with high selectivity by a sublimation process. The previous structure of indigo B [Süsse & Wolf (1980 ▶). Naturwissenschaften, 67, 453], which showed that the complete molecule is generated by crystallographic inversion symmetry has been confirmed, but the present study reports more realistic geometrical parameters and modern standards of precision (e.g. σ for C—C bonds = 0.002–0.003 Å). Each molecule features two intramolecular N—H⋯O hydrogen bonds. In the crystal, molecules are linked by strong face-to-face π–π stacking interactions involving both the six- and five-membered rings [centroid–centroid separations = 3.6290 (14) and 3.6506 (14) Å] and intermolecular N—H⋯O hydrogen bonds. |
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