3-{2-[(1,3-Benzothia-zol-2-yl)sulfanyl-meth-yl]phen-yl}-4-meth-oxy-5,5-dimethyl-furan-2(5H)-one.

In the title compound, C(21)H(19)NO(3)S(2), the dihedral angles formed between the thia-zole ring and the adjacent benzene ring and the other benzene ring are 1.58 (3) and 76.48 (6)°, respectively. The crystal structure features a weak C-H⋯O inter-action.

In the title compound, C 21 H 19 NO 3 S 2 , the dihedral angles formed between the thiazole ring and the adjacent benzene ring and the other benzene ring are 1.58 (3) and 76.48 (6) , respectively. The crystal structure features a weak C-HÁ Á ÁO interaction.
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL. Benzothiazole derivatives are well known to exhibit a wide spectrum of biological activities, including fungicidal, anticancer and anti-tuberculous properties. (Brantley et al., 2004;Zhao et al., 2010;Palmer et al., 1971). In addition, furan-2(5H)-one derivatives also have good biological activities (Iannazzo et al., 2008). These findings prompted us to synthesize a new series of benzothiazole derivatives by incorporating furan-2(5H)-one at the 2-position, in the hope of finding molecules showing an improved bioactivity. We present here the X-ray crystallographic analysis of the title compound, (I), which was designed and synthesized in our laboratory.
A view of the molecular structure of the title compound is given in Fig.1. The bond lengths and angles are unremarkable.The dihedral angles formed between the triazole ring and the adjacent benzene ring and the other benzene ring system are 1.58 (3)° and 76.48 (6)°, respectively. One intermolecular C-H···O hydrogen bond exists in the crystal structure (Table 1). Atom C2 in the molecule acts as donor, via the H atom H2, towards O1 of an adjacent molecule ( Fig.2). No π-π-stacking interactions are observed in the crystal structure.

Experimental
The title compound was synthesized according to a published procedure (Zhao et al., 2010). Crystals appropriate for Xray data collection were obtained by slow evaporation of a methanolic solution at 292 K.

Refinement
All H atoms were initially located in a difference Fourier map. Methyl H atoms were then constrained to an ideal geometry with C-H distances of 0.96 Å and U iso (H) = 1.5U eq (C), but each group was allowed to rotate freely about its C -C bond. All other H atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms with C-H distances in the range 0.93-0.97 Å and U iso (H) = 1.2U eq (C).

Computing details
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008    where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.25 e Å −3 Δρ min = −0.22 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness 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 threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) 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.