(E)-3-(3-Methylthiophen-2-yl)-1-p-tolylprop-2-en-1-one. Corrigendum

Corrigendum to IUCrData (2017), 2, x170234.

In the title compound, C 15 H 14 OS, the dihedral angle between the thiophene and benzene rings is 31.34 (13) . The thiophene S atom and enone C O group are approximately in an anti orientation. In the crystal, molecules are linked via pairs of very weak C-H-Á Á ÁO hydrogen bonds, forming inversion dimers with R 2 2 (16) ring motifs.

Structure description
Chalcones and heterocyclic chalcone derivatives play important roles against diverse human diseases due to their anti-inflammatory, anti-leishmanial (Aponte et al., 2010) and other properties. As part of our ongoing studies of such molecules (Tejkiran et al., 2016;Karthik et al., 2016), we report herein the synthesis and crystal structure of the title compound (Fig. 1).

data reports
In the crystal, the molecules are linked via pairs of very weak C-HÁ Á ÁO hydrogen bonds, forming inversion dimers with an R 2 2 (16) ring motif (Table 1, Fig. 2).

Synthesis and crystallization
A mixture of 3-methyl-2-thiophenecarboxaldehyde (1 mol) with 4-methylacetophenone (1 mol) was dissolved in methanol (25 ml) and aqueous potassium hydroxide (15 ml) was added drop wise. The reaction mixture was stirred overnight at room temperature. The solid product obtained was separated, filtered and washed with cold methanol. Pure yellow crystals of the title compound were obtained by recrystallization from methanol solution (yield 78%, m.p. 350-353 K).

Figure 1
The molecular structure of the title compound, with displacement ellipsoids drawn at the 50% probability level.

data-1
IUCrData ( 33, 21.70, 119.79, 127.14, 128.52, 129.31, 131.44, 134.64, 135.21, 135.69, 142.63, 143.54, 189.35. Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles Refinement. Refinement on F 2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The observed criterion of F 2 > 2sigma(F 2 ) is used only for calculating -R-factor-obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.