Dimethyl 3-acetyl-3-(1,3-benzothiazol-2-yl)pentanedioate
نویسندگان
چکیده
The title compound, C(16)H(17)NO(5)S, was one of two condensation products from the reaction of 1-(1,3-benzothia-zol-2-yl)propan-2-one with methyl chloro-acetate. The non-H atoms in each of the four substituent groups on the central quaternary C atom are virtually coplanar. The maximum deviations from the least-squares planes are 0.015 (2) and 0.020 (2) Å for the methyl C atoms in the methyl acetate substituents and 0.033 (1) Å for the linked C atom of the benzothia-zole substituent. The S, C and N atoms in the thia-zole ring of the benzothia-zole substituent lie -0.037 (2), 0.046 (2) and -0.028 (2) Å, respectively, from the mean plane defined by the benzene ring atoms.
منابع مشابه
4-(1,3-Benzothiazol-2-yl)-5-methyl-2-phenyl-1-propynyl-1H-pyrazol-3(2H)-one
The title compound, C(20)H(15)N(3)OS, is a 1H-pyrazol-3(2H)-one having aromatic 4-(1,3-benzothia-zol-2-yl) and 2-phenyl substit-uents. The five-membered ring and the fused-ring system are close to planar, the r.m.s. deviations being 0.025 and 0.005 Å, respectively. The five-membered ring is aligned at 67.5 (1)° with respect to the phenyl ring and at 4.7 (1)° with respect to the fused-ring syste...
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The central five-membered ring of the title compound, C(18)H(15)N(3)OS, is almost planar (r.m.s. deviation = 0.028 Å) and the benzothia-zole fused-ring system is close to coplanar with this ring [dihedral angle = 6.1 (1)°]. The phenyl substituent is twisted by 62.5 (1)°.
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