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Crystal structure of 2-(thiophen-3-yl)ethyl pyrene-1-carboxylate
In the title compound, C(23)H(16)O(2)S, the thiophene group is rotationally disordered into two fractions almost parallel to each other, with occupation factors of 0.523 (7) and 0.477 (7), and subtending dihedral angles of 10.5 (5) and 9.3 (5)°, respectively, to the thiophene group. The molecules...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719884/ https://www.ncbi.nlm.nih.gov/pubmed/26870531 http://dx.doi.org/10.1107/S2056989015020873 |
Sumario: | In the title compound, C(23)H(16)O(2)S, the thiophene group is rotationally disordered into two fractions almost parallel to each other, with occupation factors of 0.523 (7) and 0.477 (7), and subtending dihedral angles of 10.5 (5) and 9.3 (5)°, respectively, to the thiophene group. The molecules are held together by weak C—H⋯O and C—H⋯π hydrogen bonds, producing a laminar arrangement, which are further connected in a perpendicular fashion by S⋯π contacts [S⋯centroid = 3.539 (8) and 3.497 (8) Å]. In spite of the presence of the entended pyrene group, the structure does not present any parallel π–π stacking interactions. The structure was refined as an inversion twin. |
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