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compound from the reaction of 5-chloro-2-benzothiazolinone (0.1 mol) with methyl acrylate (0.012 mol). Both of them were dissolved in 30 ml of water in the presence of 0.012 mol triethylamine. The mixture was stirred for 8 h on water bath (50 – 60 ̊C) and then stirred for 18 h at room temperature. The precipitated solid material was subsequently filtered and crystallized from ethanol. In the present study, with the aim of further clarifying the molecular structure of the title compound, a single-crystal X-ray analysis of C11H10ClNO3S was carried out. The benzothiazole unit is similar to those found in other derivatives, e.g. bis(1,3-benzothiazol-2-yl)disulfide1 or 2methylthio-1,3-benzothiazole.2 The adopted molecular conformation and the labeling scheme are shown in Fig. 2. Crystal and experimental data are given in Table 1. The final positional and equivalent isotropic thermal parameters are reported in Table 2; Table 3 lists selected bond lengths and bond angles. The lengthening of the S1–C7 bond distance [1.776(3)Å] versus the S1–C6 bond distance [1.742(3)Å] may be described in term of the steric interaction, whereas in the structures of 4-benzoyl-5-phenylthiophene-2,3-dine3 and 2-(ohydroxyphenyl)-∆2-1,3-benzo[4,5]thiazoline4 the S–C distances range between 1.74(3) and 1.78(9)Å. The C3–Cl1 distance [1.744(3)Å] is in agreement with those 1401 ANALYTICAL SCIENCES DECEMBER 2002, VOL. 18 2002 © The Japan Society for Analytical Chemistry

Crystal Structure of Methyl-3-(5-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)-propanoate