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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...

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Detalles Bibliográficos
Autores principales: Valderrama-García, Bianca X., Reyes-Martínez, Reyna, Hernández-Ortega, Simón, Morales-Morales, David, Rivera, Ernesto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
Descripción
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.