Chinnakali K, Sudha D, Jayagobi M, Raghunathan R, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 28;65(Pt 11):o2907-8. doi: 10.1107/S1600536809044341.
The mol-ecule of the title compound, C(31)H(31)N(3)O(5)S, adopts a folded conformation, with the sulfonyl-bound phenyl ring lying over the pyrimidine ring [dihedral angle = 12.04 (6)° and centroid-centroid separation = 3.6986 (8) Å]. The pyrrolidine ring adopts a twist conformation, the dihydro-pyran ring is in a half-chair conformation and the two rings are cis-fused. The tosyl group is attached to the pyrrolidine ring in an equatorial position while the benzyl group is axially attached. The mol-ecular structure is stabilized by weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions. In the crystal, pairs of mol-ecules related by inversion symmetry are linked by C-H⋯O hydrogen bonds, forming chains propagating along the c axis which are cross-linked into a three-dimensional framework by further C-H⋯O links.
标题化合物C(31)H(31)N(3)O(5)S的分子呈折叠构象，磺酰基连接的苯环位于嘧啶环上方[二面角 = 12.04 (6)°，质心-质心间距 = 3.6986 (8) Å]。吡咯烷环呈扭曲构象，二氢吡喃环呈半椅式构象，且这两个环为顺式稠合。甲苯磺酰基在赤道位置连接到吡咯烷环上，而苄基则轴向连接。分子结构通过弱C-H⋯O氢键和C-H⋯π相互作用得以稳定。在晶体中，通过倒转对称性相关的分子对由C-H⋯O氢键相连，形成沿c轴延伸的链，这些链通过进一步的C-H⋯O连接交联成三维框架。
