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1,3-Bis(propan-2-yl)naphthalene.


ABSTRACT: In the title compound, C(16)H(20), one of the isopropyl groups shows almost equal displacements [1.252 (1) and -1.270 (1) Å] of its methyl-C atoms from the mean plane of the naphthalene ring system, while the other shows asymmetric displacements [1.586 (2) and -0.315 (1) Å]. In the crystal, the mol-ecules are linked into sheets lying in the ab plane by three C-H⋯π contacts, two involving donors belonging to the isopropyl groups and the third a donor atom from the naphthalene ring system. The different orientations of the isopropyl groups might be attributed to the fact that the C-H⋯π inter-action involving one of them is enhanced by the C-H⋯π inter-action involving the aromatic ring.

SUBMITTER: Schroder B 

PROVIDER: S-EPMC3238981 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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1,3-Bis(propan-2-yl)naphthalene.

Schröder Bernd B   Gomes Ligia Rebelo LR   Low John Nicolson JN  

Acta crystallographica. Section E, Structure reports online 20111116 Pt 12


In the title compound, C(16)H(20), one of the isopropyl groups shows almost equal displacements [1.252 (1) and -1.270 (1) Å] of its methyl-C atoms from the mean plane of the naphthalene ring system, while the other shows asymmetric displacements [1.586 (2) and -0.315 (1) Å]. In the crystal, the mol-ecules are linked into sheets lying in the ab plane by three C-H⋯π contacts, two involving donors belonging to the isopropyl groups and the third a donor atom from the naphthalene ring system. The dif  ...[more]

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