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Abstract
In the title compound, C28H20BrNO3S, the thiazolidine, pyrrolidine and two five-membered carbocyclic rings are in envelope conformations. The bromo-bound phenyl ring forms dihedral angles of 61.97 (18) and 88.30 (17)° with the other two benzene rings. The two benzene rings form a dihedral angle of 30.3 (2)°. The molecular structure features an intramolecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked into inversion dimers by pairs of C—H⋯O hydrogen bonds.
Highlights
C28H20BrNO3S, the thiazolidine, pyrrolidine and two five-membered carbocyclic rings are in envelope conformations
The thiazolidine (S1/N1/C26-C28), pyrrolidine (N1/C9/C10/C19/C26) and two five-membered carbocyclic (C1/C2/C7-C9 and C10-C12/C17/C18) rings are in envelope conformations, puckering parameters (Cremer & Pople, 1975) Q = 0.373 (3) Å and φ = 31.3 (5)° with atom C27 at the flap; Q = 0.456 (3) Å and φ
The molecular structure is stabilized by an intramolecular C18–H18B···O1 hydrogen bond (Table 1), which generates an S(6) ring motif (Fig. 1, Bernstein et al, 1995)
Summary
Refinement a Institute for Research in Molecular Medicine, Universiti Sains Malaysia, 11800. USM, Penang, Malaysia, and bX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia. R factor = 0.044; wR factor = 0.136; data-to-parameter ratio = 17.7. C28H20BrNO3S, the thiazolidine, pyrrolidine and two five-membered carbocyclic rings are in envelope conformations. The bromo-bound phenyl ring forms dihedral angles of 61.97 (18) and 88.30 (17) with the other two benzene rings. The two benzene rings form a dihedral angle of 30.3 (2). The molecular structure features an intramolecular C—H O hydrogen bond, which generates an S(6) ring motif. Molecules are linked into inversion dimers by pairs of C—H O hydrogen bonds
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