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Crystal structure of 1-meth-oxy-pyrene.

ABSTRACT: The title compound, C17H12O, crystallized with three independent mol-ecules (A, B and C) in the asymmetric unit. In the crystal, the three independent mol-ecules are linked by ?-? inter-actions [centroid-centroid distances = 3.551?(3)-3.977?(2)?Å], which lead to the formation of trimers. Between the trimers there are a number of C-H?? inter-actions generating a laminar arrangement parallel to (010). The meth-oxy-methyl group in mol-ecule A is disordered over two sets of sites, with an occupancy ratio of 0.56?(9):0.44?(9).

SUBMITTER: Morales-Espinoza EG

PROVIDER: S-EPMC4350705 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 1-meth-oxy-pyrene.

Morales-Espinoza Eric G EG Rivera Ernesto E Reyes-Martínez Reyna R Hernández-Ortega Simón S Morales-Morales David D

Acta crystallographica. Section E, Crystallographic communications 20150228 Pt 3

The title compound, C17H12O, crystallized with three independent mol-ecules (A, B and C) in the asymmetric unit. In the crystal, the three independent mol-ecules are linked by π-π inter-actions [centroid-centroid distances = 3.551 (3)-3.977 (2) Å], which lead to the formation of trimers. Between the trimers there are a number of C-H⋯π inter-actions generating a laminar arrangement parallel to (010). The meth-oxy-methyl group in mol-ecule A is disordered over two sets of sites, with an occupancy ...[more]

PMID: 25844253

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