Crystal structure of 2-(thio­phen-3-yl)ethyl pyrene-1-carboxyl­ate

Acta Crystallographica Section E: Crystallographic Communications

Valderrama-Garcí¹  ndez-Ortega, S.²  Morales-Morales, D.³  nez, R.⁴  a, B.X.⁵  Rivera, E.⁵  Herná⁶  Reyes-Martí⁷ 

[1] Instituto de Investigaciones en Materiales, Universidad Nacional AutóInstituto de Química, Universidad Nacional Autón 04510, Ménoma de México D.F., Mexico;xico, Coyoacá

关键词: CRYSTAL STRUCTURE;    PYRENE;    THIOPHENE;    EXCIMERS;    EXCIPLEXES;    HYDROGEN BONDING;    S...[PI] CONTACTS;   

DOI  :  10.1107/S2056989015020873

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C23H16O2S, 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.

【 授权许可】

CC BY