CCDC no.: 1558756The title crystal structure is shown in the figure. conditions. Table 2 lists the atoms with their coordinates and displacement parameters. Source of materialsThe title compound was synthesized from the Sonogashira Coupling-Aminovinylation Sequence reaction [4]. In a nitrogen atmosphere, a THF solution of phenylacetylene (1.1 mmol in 5 mL THF) was added dropwisely into a stirred mixture of 2-bromo-5-nitrothiazole (1 mmol), Pd(PPh 3 ) 2 Cl 2 (14 mg, 0.02 mmol), CuI (7 mg, 0.04 mmol), and 11 mL of THF/NEt 3 (10:1). The reaction mixture was stirred at room temperature overnight until conversion was complete (monitored by TLC). Then, a solution of diethylamine (2 mmol) in 5 mL of methanol was added, and the mixture was heated to reflux for ca. 9 hour until complete conversion (monitored by TLC). The solvents were evaporated in vacuo, and the residue was purified by chromatography over a short pad of aluminum oxide eluting with dichloromethane followed by acetone to yield 60% of the entitled compound. The residue was then recrystallized in dichloromethane by evaporation in vacuo, which yielded dark red crystals. After several attempts a suitable crystal for single X-ray diffraction study was obtained. Experimental detailsH atoms were fixed geometrically at ideal positions and allowed to ride on the parent atoms with C-H = 0.93-0.97 Å, with U iso (H) = 1.5Ueq(C) (for CH 3 )and 1.2 Ueq(C) (for CH 2 and CH).

We report the synthesis of two dipolar thiazole derivatives functionalized with nitro group as electron acceptor and amino group as electron donor, in order to study their optical properties in the UV-vis range. Their structures were verified by 1H NMR, 13C NMR, HRMS and FT-IR. The resulted thiazole derivatives have good thermal stability with decomposition temperature, Td of 320.20 °C and 284 °C for compounds 1 and 2 respectively. The absorbance bands of compound 2 in the UV-vis range are more red-shifted than that of compound 1 which made compound 2 could have high potential as a great organic NLO material.