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Crystal structure of 1,3-bis-{[4-(acetyl-sulfanyl)phenyl]ethynyl}azulene.

ABSTRACT: In the title compound, C30H20O2S2, the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetyl-sulfanyl groups are 59.60 (10) and 84.79 (10)°. The expected π-π stacking inter-actions are not observed in the crystal structure; instead, the packing features C-H⋯O hydrogen bonds, which link the mol-ecules into C(12) [010] chains, which are supported by weak C-H⋯π contacts.

SUBMITTER: Forster S

PROVIDER: S-EPMC4719999 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-bis-{[4-(acetyl-sulfanyl)phenyl]ethynyl}azulene.

Förster Sebastian S Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Crystallographic communications 20151231 Pt 12

In the title compound, C30H20O2S2, the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetyl-sulfanyl groups are 59.60 (10) and 84.79 (10)°. The expected π-π stacking inter-actions are not observed in the crystal structure; instead, the packing features C-H⋯O hydrogen bonds, which link the mol-ecules into C(12) [010] chains, which are ...[more]

PMID: 26870518

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