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. 2014 Aug 1;70(Pt 9):o951-2.
doi: 10.1107/S1600536814016948. eCollection 2014 Sep 1.

Crystal structure of N-(3-benzoyl-4,5,6,7-tetra-hydro-1-benzo-thio-phen-2-yl)benzamide

Manpreet Kaur  1 , Jerry P Jasinski  2 , H S Yathirajan  1 , Thammarse S Yamuna  1 , K Byrappa  3
Affiliations

Crystal structure of N-(3-benzoyl-4,5,6,7-tetra-hydro-1-benzo-thio-phen-2-yl)benzamide

Manpreet Kaur et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C22H19NO2S, the cyclo-hexene ring adopts a half-chair conformation. The dihedral angles between the plane of the thio-phene ring and those of its amide- and carbonyl-bonded benzene rings are 7.1 (1) and 59.0 (2)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, very weak aromatic π-π stacking inter-actions [centroid-centroid separation = 3.9009 (10) Å] are observed.

Keywords: 1-benzo­thio­phene; 2-amino­thio­phene derivatives; benzamide; crystal structure; hydrogen bonding; π–π stacking inter­actions.

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Figures

Fig. 1.
Fig. 1.
ORTEP drawing of C22H19NO2S showing 30% probability displacement ellipsoids.
Fig. 2.
Fig. 2.
Molecular packing for C22H19NO2S viewed along the b axis. Dashed lines indicate N—H···O intramolecular hydrogen bonds. H atoms not involved in hydrogen bonding have been removed for clarity.
See this image and copyright information in PMC

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