（7-氟-2-氧代-2H-色烯-4-基）甲基吗啉-4-碳二硫代酸酯的晶体结构
Crystal structure of (7-fluoro-2-oxo-2H-chromen-4-yl)methyl morpholine-4-carbodi-thio-ate.
作者信息
Anitha B R, Gunaseelan A Thomas, Vinduvahini M, Kavitha H D, Devarajegowda H C
机构信息
Department of Physics, Yuvaraja's College (Constituent College), University of Mysore, Mysore 570 005, Karnataka, India.
Department of Physics, St Philomena's College (Autonomous), Mysore 570 015, Karnataka, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Nov 14;71(Pt 12):o928-9. doi: 10.1107/S2056989015021179. eCollection 2015 Dec 1.
In the title compound, C15H14FNO3S2, the 2H-chromene ring system is close to being planar (r.m.s. deviation = 0.024 Å) and the morpholine ring adopts a chair conformation. The dihedral angle between the 2H-chromene ring system and the morpholine ring (all atoms) is 88.21 (11)°. In the crystal, inversion dimers linked by pairs of very weak C-H⋯F hydrogen bonds generate R 2 (2)(8) loops; C-H⋯O hydrogen bonds connect the dimers into [010] chains. Weak aromatic π-π stacking inter-actions between the pyran rings of the chromene systems [centroid-centroid distance = 3.6940 (16) Å] are also observed.
在标题化合物C₁₅H₁₄FNO₃S₂中，2H - 色烯环系统接近平面（均方根偏差 = 0.024 Å），吗啉环呈椅式构象。2H - 色烯环系统与吗啉环（所有原子）之间的二面角为88.21（11）°。在晶体中，由非常弱的C - H⋯F氢键对连接的反演二聚体形成R 2 (2)(8)环；C - H⋯O氢键将二聚体连接成[010]链。还观察到色烯系统的吡喃环之间存在弱的芳香π - π堆积相互作用[质心 - 质心距离 = 3.6940（16）Å]。
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