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. 2014 May 31;70(Pt 6):o722.
doi: 10.1107/S1600536814011866. eCollection 2014 Jun 1.

(2E,7E)-2,7-Bis[(thio-phen-2-yl)methyl-idene]cyclo-hepta-none

C Nithya  1 , M Sithambaresan  2 , S Prathapan  1 , M R Prathapachandra Kurup  1
Affiliations

(2E,7E)-2,7-Bis[(thio-phen-2-yl)methyl-idene]cyclo-hepta-none

C Nithya et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The whole molecule of the title compound, C17H16OS2, 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 -CH2-CH2- bond of the ring. The mol-ecule exists in an E,E conformation with respect to the C=C double bond. The cyclo-hepta-none ring exhibits a twisted chair conformation and its mean plane makes a dihedral angle of 50.12 (19)° with the planes of the thio-phene rings. The two S atoms are in an anti arrangement with respect the carbonyl O atom and the dihedral angle between the two thio-phene 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 inter-connected by another inter-action of the same kind with a neighbouring mol-ecule, forming a mol-ecular chain along the c-axis direction.

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Figures

Fig. 1.
Fig. 1.
ORTEP view of the compound, drawn with 50% probability displacement ellipsoids for the non-H atoms. Symmetry operator (i): (i) -x+2, y, -z+1/2.
Fig. 2.
Fig. 2.
Centrosymmetric dimer formed by means of C–H···O interaction found in the title compound C17H16OS2.
Fig. 3.
Fig. 3.
C—H···O interactions forming a 1-D molecular chain along the c axis.
Fig. 4.
Fig. 4.
A view of the unit cell along the c axis.
See this image and copyright information in PMC

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