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Valderrama-García BX, Reyes-Martínez R, Hernández-Ortega S, et al. Crystal structure of 2-(thio-phen-3-yl)ethyl pyrene-1-carboxyl-ate. Acta Crystallogr E Crystallogr Commun. 2015;71:o926-7doi: 10.1107/S2056989015020873.
Valderrama-García, B. X., Reyes-Martínez, R., Hernández-Ortega, S., Morales-Morales, D., & Rivera, E. (2015). Crystal structure of 2-(thio-phen-3-yl)ethyl pyrene-1-carboxyl-ate. Acta crystallographica. Section E, Crystallographic communications, 71o926-7. https://doi.org/10.1107/S2056989015020873
Valderrama-García, Bianca X, et al. "Crystal structure of 2-(thio-phen-3-yl)ethyl pyrene-1-carboxyl-ate." Acta crystallographica. Section E, Crystallographic communications vol. 71 (2015): o926-7. doi: https://doi.org/10.1107/S2056989015020873
Valderrama-García BX, Reyes-Martínez R, Hernández-Ortega S, Morales-Morales D, Rivera E. Crystal structure of 2-(thio-phen-3-yl)ethyl pyrene-1-carboxyl-ate. Acta Crystallogr E Crystallogr Commun. 2015 Nov 11;71:o926-7. doi: 10.1107/S2056989015020873. eCollection 2015 Dec 01. PMID: 26870531; PMCID: PMC4719884.
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Acta Crystallogr E Crystallogr Commun. 2015 Nov 11;71:o926-7. doi: 10.1107/S2056989015020873. eCollection 2015 Dec 01.

Crystal structure of 2-(thio-phen-3-yl)ethyl pyrene-1-carboxyl-ate.

Acta crystallographica. Section E, Crystallographic communications

Bianca X Valderrama-García, Reyna Reyes-Martínez, Simón Hernández-Ortega, David Morales-Morales, Ernesto Rivera

Affiliations

  1. Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.
  2. Instituto de Química, Universidad Nacional Autónoma de México, Coyoacán 04510, México D.F., Mexico.

PMID: 26870531 PMCID: PMC4719884 DOI: 10.1107/S2056989015020873

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.

Keywords: S⋯π contacts; crystal structure; excimers; exciplexes; hydrogen bonding; pyrene; thio­phene

References

  1. Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55 - PubMed
  2. Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8 - PubMed
  3. J Fluoresc. 2005 May;15(3):243-53 - PubMed
  4. Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 - PubMed
  5. J Org Chem. 2008 Jul 4;73(13):5127-30 - PubMed

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