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(2E,7E)-2,7-Bis[(thio­phen-2-yl)methyl­idene]cyclo­hepta­none

The whole molecule of the title compound, C(17)H(16)OS(2), is generated by two-fold rotational symmetry. The carbonyl C and O atoms of the cycloheptanone ring lie on the twofold rotation axis which bisects the opposite –CH(2)–CH(2)– bond of the ring. The mol­ecule exists in an E,E conformation with...

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Detalles Bibliográficos
Autores principales: Nithya, C., Sithambaresan, M., Prathapan, S., Kurup, M. R. Prathapachandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051043/
https://www.ncbi.nlm.nih.gov/pubmed/24940291
http://dx.doi.org/10.1107/S1600536814011866
Descripción
Sumario:The whole molecule of the title compound, C(17)H(16)OS(2), is generated by two-fold rotational symmetry. The carbonyl C and O atoms of the cycloheptanone ring lie on the twofold rotation axis which bisects the opposite –CH(2)–CH(2)– bond of the ring. The mol­ecule exists in an E,E conformation with respect to the C=C double bond. The cyclo­hepta­none ring exhibits a twisted chair conformation and its mean plane makes a dihedral angle of 50.12 (19)° with the planes of the thio­phene rings. The two S atoms are in an anti arrangement with respect the carbonyl O atom and the dihedral angle between the two thio­phene ring planes is 69.38 (7)°. In the molecule, there are two intramolecular C—H⋯S hydrogen bond, forming S(6) ring motifs. In the crystal, inversion dimers are generated via pairs of C—H⋯O hydrogen bonds. These dimers are inter­connected by another inter­action of the same kind with a neighbouring mol­ecule, forming a mol­ecular chain along the c-axis direction.