(Z)-N-(3-(2-Chloro-4-nitrophenyl)-4-methylthiazol-2(3H)-ylidene) Pivalamide: Synthesis and Crystal Structure

Synthesis of the title compound was carried out by base-catalyzed cyclization of 1-pivaloyl-3-(2-chloro-4-nitrophenyl) thiourea with α-bromoacetone produced in situ. The structure was confirmed by the spectroscopic and elemental analysis and single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1 with unit cell dime sions a = 8.7137(10), b = 10.2010(14), c = 10.6593(13), α = 62.671(9), β = 82.701(10), γ = 79.762(10), V = 827.21(8) Å3, Z = 2.

followed by drying at 15˚C.

Equipment
The reaction was performed under nitrogen atmospheres.Melting points were recorded using a digital Gallenkamp (SANYO) model MPD BM 3.5 apparatus and are uncor rected. 1 H NMR spectra were determined as CDCl 3 solutions at 300 MHz using a Bruker AM-300 spectrophotometer.FT IR spectra were recorded using an FTS 3000 MX spectrophotometer, Mass Spectra (EI, 70 eV) on a GC-MS instrument from Agilent technologies USA.The compound was purified by thick layer chromatography using silica gel from Merck (Darmstadt Germany).

X-ray Data Collection and Structure Refinement
Crystallographic data were recorded on a STOE IPDS-II diffractometer [18] using Mo Kα radiation (λ = 0.71073 Å) at T = 173 K.An absorption correction was applied using the MULABS [19] option in PLATON [20].The structure was solved by direct methods [21] and refined by full-matrix least-squares using SHELXL-97 against F2 using all data [21].All non-H atoms were refined anisotropically.H atoms were positioned geometrically at distances of 0.95 Å (aromatic CH) and 0.98 Å (methyl groups) from the parent C atoms; a riding model was used during the refinement process and the Uiso(H) values were constrained to be 1.2 Ueq(aromatic C) or 1.5 Ueq(methyl C).Experimental data are listed in Table 1.
CCDC reference number: 815359.The molecular structure of the title compound (b) along with the atom numbering scheme is depicted in Figure 1 and a packing diagram is shown in Figure 2. Table 1 shows the crystal data and crystal refinement of (b).Table 2 gives the atomic coordinates, Table 3 the bond lengths and angles; Table 4 anisotropic displacement parameters, Table 5 the hydrogen coordinates and Table 6 the torsion angles for (b).
In 2005 Wang et al. independently reported the formation of same compounds by cyclization of 1-aroyl-3arylthioureas in aqueous medium [23].In the same year    ) and equivalent isotropic displacement parameters (Å 2 × 10 3 ) for (b).U(eq) is defined as one third of the trace of the orthogonalized Uij tensor.
Bond lengths and angles of the title compound are in the usual ranges.The dihedral angle between the two rings is 75.2˚.The nitro groups lies in the plane of the ring to which it is attached [torsion angle: O(3)-N(3)-C(15)-C( 14)-1.8(7)˚] y.

Conclusions
Synthesis, characterization and crystal structure of a novel heterocyles having a wide range of applications is described.

Figure 1 .
Figure 1.Perspective view of (b).Displacement ellipsoids are drawn at the 50% probability level.

Figure 2 .
Figure 2. A packing diagram of the title compound (b).