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4-(4-Meth-oxy-phen-yl)naphtho-[2,3-b]thio-phene.

ABSTRACT: In the title compound, C(19)H(14)OS, the naphtho-thio-phene moiety is almost planar except for the S atom of the five-membered ring, which is situated 0.047 (6) Å out of the C(4) plane (with an r.m.s. deviation of fitted atoms = 0.0009 Å). The dihedral angle between the naphtho-thio-phene plane and the attached meth-oxy-phenyl ring is 67.6 (2)°. In the crystal, a C-H⋯π inter-action is observed between a meth-oxy-phenyl C-H group and the outer benzene ring of the naphtho-thio-phene moiety. The five-membered ring of the naphtho-thio-phene moiety is disordered, with the S and opposite non-fused C atom approximately exchanging positions, with a site-occupancy factors of 0.808 (3) and 0.187 (3).

SUBMITTER: Vasudhevan S

PROVIDER: S-EPMC3297925 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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4-(4-Meth-oxy-phen-yl)naphtho-[2,3-b]thio-phene.

Vasudhevan S S Puthilibai G G Karunakaran R Joel RJ

Acta crystallographica. Section E, Structure reports online 20120229 Pt 3

In the title compound, C(19)H(14)OS, the naphtho-thio-phene moiety is almost planar except for the S atom of the five-membered ring, which is situated 0.047 (6) Å out of the C(4) plane (with an r.m.s. deviation of fitted atoms = 0.0009 Å). The dihedral angle between the naphtho-thio-phene plane and the attached meth-oxy-phenyl ring is 67.6 (2)°. In the crystal, a C-H⋯π inter-action is observed between a meth-oxy-phenyl C-H group and the outer benzene ring of the naphtho-thio-phene moiety. The fi ...[more]

PMID: 22412728

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