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Crystal structure of 2-hydroxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione
The naphthoquinone unit of the title compound, C(13)H(8)O(3), is essentially planar, with an r.m.s. deviation of 0.013 Å for the non-H atoms. The essentially linear propargyl group is tilted by ca 113° relative to the naphthoquinone plane. In the crystal, molecules are linked via a pair of O—H⋯O...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127683/ https://www.ncbi.nlm.nih.gov/pubmed/30225125 http://dx.doi.org/10.1107/S2056989018011647 |
Sumario: | The naphthoquinone unit of the title compound, C(13)H(8)O(3), is essentially planar, with an r.m.s. deviation of 0.013 Å for the non-H atoms. The essentially linear propargyl group is tilted by ca 113° relative to the naphthoquinone plane. In the crystal, molecules are linked via a pair of O—H⋯O hydrogen bonds, forming an inversion dimer. The dimers are further linked via pairs of C—H⋯O hydrogen bonds into a tape structure along [20[Image: see text]]. No π–π stacking is observed in the present case as it could be expected for naphthoquinone derivatives. |
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