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Crystal structure of 3-[2-(thio-phen-3-yl)ethyn-yl]-2H-chromen-2-one.

ABSTRACT: In the title compound, C15H8O2S, the coumarin moiety is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.025?Å) and is slightly inclined with respect to the plane of the thio-phen-3-yl ring, forming a dihedral angle of 11.75?(8)°. In the crystal, the three-dimensional architecture features a combination of coumarin-thio-phene C-H?? and ?-? [inter-centroid distance = 3.6612?(12)?Å] inter-actions.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC4350713 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of 3-[2-(thio-phen-3-yl)ethyn-yl]-2H-chromen-2-one.

Caracelli Ignez I Maganhi Stella H SH Stefani Hélio A HA Gueogjian Karina K Tiekink Edward R T ER

Acta crystallographica. Section E, Crystallographic communications 20150207 Pt 3

In the title compound, C15H8O2S, the coumarin moiety is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.025 Å) and is slightly inclined with respect to the plane of the thio-phen-3-yl ring, forming a dihedral angle of 11.75 (8)°. In the crystal, the three-dimensional architecture features a combination of coumarin-thio-phene C-H⋯π and π-π [inter-centroid distance = 3.6612 (12) Å] inter-actions. ...[more]

PMID: 25844223

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