Rajalakshmi P, Srinivasan N, Krishnakumar R V, Razak Ibrahim Abdul, Rosli Mohd Mustaqim
Department of Physics, Thiagarajar College, Madurai 625 009, India.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 23;69(Pt 4):o567-8. doi: 10.1107/S1600536813007265. Print 2013 Apr 1.
The mol-ecular structure of the title compound, C12H19NO5, may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C-H⋯O inter-actions assuming significance in optimizing supra-molecular aggregation in crystals in a mol-ecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T 2) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R 2 (4)(10) and R 3 (4)(26) ring motifs formed by four weak C-H⋯O inter-actions, leading to supra-molecular sheets lying parallel to the bc plane.
标题化合物C₁₂H₁₉NO₅的分子结构可视为由两个近乎垂直的平面组成[二面角 = 87.39 (12)°]，其晶体结构是C-H⋯O相互作用在优化晶体中超分子聚集方面具有重要意义的一个很好的例子，该分子在供体与受体原子方面严重失衡。吡咯烷环采取((3) T 2)扭曲构象，褶皱参数Q = 0.2630 (4) Å，ϕ = 59 (9)°。晶体结构具有由四个弱C-H⋯O相互作用形成的R 2 (4)(10)和R 3 (4)(26)环 motif，导致超分子片层平行于bc平面。
