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. 2014 May 31;70(Pt 6):o738-9.
doi: 10.1107/S1600536814012185. eCollection 2014 Jun 1.

{2-[(4-Nitro-benzyl-idene)amino]-4,5,6,7-tetrahydro-1-benzo-thio-phen-3-yl}(phen-yl)methanone

Affiliations

{2-[(4-Nitro-benzyl-idene)amino]-4,5,6,7-tetrahydro-1-benzo-thio-phen-3-yl}(phen-yl)methanone

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

Abstract

In the title compound, C22H18N2O3S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclo-hexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclo-hexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thio-phene ring and the 4-nitro-benzene and phenyl rings are 30.9 (8) and 64.8 (3) (A) and 62.4 (7)° (B). The mean planes of the 4-nitro-benzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1) (A) and 83.9 (8)° (B). An extensive array of weak C-H⋯O inter-actions consolidate mol-ecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011).

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Figures

Fig. 1.
Fig. 1.
ORTEP drawing of (I) showing the labeling scheme and 30% probability displacement ellipsoids (major and minor components of the disordered atoms in the cyclohexane, benzoyl groups are displayed with dashed lines).
Fig. 2.
Fig. 2.
Molecular packing for (I) viewed along the b axis. Dashed lines indicate weak C—H···O intermolecular interactions. H atoms not involved in the weak intermolecular interactions have been removed for clarity.

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