title: Crystal structure of 2-(thio-phen-3-yl)ethyl pyrene-1-carboxyl-ate.
abstract: In the title compound, C23H16O2S, the thio-phene 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 thio-phene group. The mol-ecules 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 inter-actions. The structure was refined as an inversion twin.
authors: Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.
authors: Bianca X
authors: BX
authors: Valderrama-García
authors: Instituto de Química, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.
authors: Reyna
authors: R
authors: Reyes-Martínez
authors: Instituto de Química, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.
authors: Simón
authors: S
authors: Hernández-Ortega
authors: Instituto de Química, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.
authors: David
authors: D
authors: Morales-Morales
authors: Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.
authors: Ernesto
authors: E
authors: Rivera
keywords: S⋯π contacts; crystal structure; excimers; exciplexes; hydrogen bonding; pyrene; thio­phene