Abstract
The title compound, C24H24N2O5S, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In the central ring systems of both mol-ecules, the tetra-hydro-furan rings adopt envelope conformations, the pyrrolidine rings adopt a twisted-envelope conformation and the six-membered ring is in a boat conformation. In mol-ecules A and B, the nine-membered groups attached to the central ring system are essentially planar (r.m.s. deviations of 0.002 and 0.003 Å, respectively). They form dihedral angles of 64.97 (9) and 56.06 (10)°, respectively, with the phenyl rings. In the crystal, strong inter-molecular O-H⋯O hydrogen bonds and weak inter-molecular C-H⋯O contacts link the mol-ecules, forming a three-dimensional network. In addition weak π-π stacking inter-actions [centroid-to centroid distance = 3.7124 (13) Å] between the pyrrolidine rings of the nine-membered groups of A mol-ecules are observed. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to qu-antify the inter-molecular inter-actions present in the crystal, indicating that the environments of the two mol-ecules are very similar. The most important contributions for the crystal packing are from H⋯H (55.8% for mol-ecule A and 53.5% for mol-ecule B), O⋯H/H⋯O (24.5% for mol-ecule A and 26.3% for mol-ecule B) and C⋯H/H⋯C (12.6% for mol-ecule A and 15.7% for mol-ecule B) inter-actions.
Highlights
The title compound, C24H24N2O5S, crystallizes with two independent molecules (A and B) in the asymmetric unit
In the central ring systems of both molecules, the tetrahydrofuran rings adopt envelope conformations, the pyrrolidine rings adopt a twisted-envelope conformation and the six-membered ring is in a boat conformation
The most important contributions for the crystal packing are from HÁ Á ÁH (55.8% for molecule A and 53.5% for molecule B), OÁ Á ÁH/HÁ Á ÁO (24.5% for molecule A and 26.3% for molecule B) and CÁ Á ÁH/HÁ Á ÁC (12.6% for molecule A and 15.7% for molecule B) interactions
Summary
Considerable attention is being paid to the development of atom- and step-economic tools in order to obtain new, practically useful materials. Non-covalent interactions between molecules play an important role in the synthesis, crystal engineering, molecular recognition, and as key activating/ controlling elements in the field of catalysis (Afkhami et al, 2017; Asadov et al, 2016; Gurbanov et al, 2017, 2018; Karmakar et al, 2017; Kopylovich et al, 2011a,b; Ma et al, 2017a,b; Maharramov et al, 2018; Mahmoudi et al, 2017, 2019; Mahmudov et al, 2010, 2020; Mizar et al, 2012; Sutradhar et al, 2015). In molecules A and B, the nine-membered groups (A: N1/ C1–C8 and B: N10/C10–C80) attached to the central ring system are essentially planar (r.m.s deviations of 0.002 and 0.003 A , respectively).
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