2-{5-[(3-氧代-3,4-二氢-2H-1,4-苯并噻嗪-4-基)甲基]-1H-1,2,3-三唑-1-基}乙酸乙酯
Ethyl 2-{5-[(3-oxo-3,4-di-hydro-2H-1,4-benzo-thia-zin-4-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.
作者信息
Sebbar Nada Kheira, Zerzouf Abdelfettah, Essassi El Mokhtar, Saadi Mohamed, El Ammari Lahcen
机构信息
Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pharmacochimie, Av Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V-Agdal, Rabat, Morocco.
Laboratoire de Chimie Organique et Etudes Physico-chimique, ENS Takaddoum, Rabat, Morocco.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 8;70(Pt 2):o116. doi: 10.1107/S1600536813034697. eCollection 2014 Feb 1.
In the title compound, C15H16N4O3S, the six-membered heterocycle of the benzo-thia-zine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thia-zine ring is 62.98 (11)°. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12)°]. In the crystal, mol-ecules are linked by pairs of C-H⋯O inter-actions, forming dimeric aggregates.
在标题化合物C₁₅H₁₆N₄O₃S中，苯并噻嗪片段的六元杂环呈现出扭船式构象。通过三唑环和与1,4-噻嗪环稠合的苯环的平面之间的二面角为62.98 (11)°。由属于乙酸酯基团的原子形成的平均平面几乎垂直于三唑环[二面角 = 74.65 (12)°]。在晶体中，分子通过成对的C-H⋯O相互作用连接，形成二聚体聚集体。
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