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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?? hydrogen bonds, producing a laminar arrangement, which are further connected in a perpendicular fashion by S?? 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 ?-? stacking inter-actions. The structure was refined as an inversion twin.

SUBMITTER: Valderrama-Garcia BX 

PROVIDER: S-EPMC4719884 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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