Baryala Yamna, Salem Moussa, Essassi El Mokhtar, Reuter Hans, Izaaryene Maher
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2290. doi: 10.1107/S1600536808035782.
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.
标题化合物C(16)H(17)NO(5)S是1-(1,3-苯并噻唑-2-基)丙-2-酮与氯乙酸甲酯反应生成的两种缩合产物之一。中心季碳原子上四个取代基中每个取代基的非氢原子实际上共面。乙酸甲酯取代基中甲基碳原子与最小二乘平面的最大偏差为0.015 (2) 和0.020 (2) Å,苯并噻唑取代基的连接碳原子与最小二乘平面的最大偏差为0.033 (1) Å。苯并噻唑取代基的噻唑环中的S、C和N原子分别偏离苯环原子所定义的平均平面0.037 (2)、0.046 (2) 和 -0.028 (2) Å。