Abstract
The asymmetric unit of the title compound, C13H11BrN2OS, consists of two crystallographically independent molecules (A and B). In each molecule, the pyrrolidine ring adopts an envelope conformation with a methylene C atom as the flap atom. In molecule A, the central thiazole ring makes a dihedral angle of 36.69 (11)° with the adjacent phenyl ring, whereas the corresponding angle is 36.85 (12)° in molecule B. The pyrrolidine ring is slightly twisted from the thiazole ring, with C—N—C—N torsion angles of 4.8 (3) and 3.0 (4)° in molecules A and B, respectively. In the crystal, C—H⋯π and π–π [centroid-to-centroid distance = 3.7539 (14) Å] interactions are observed. The crystal studied was a pseudo-merohedral twin with twin law (-100 0-10 101) and a refined component ratio of 0.7188 (5):0.2812 (5).
Highlights
H-atom parameters constrained Ámax = 0.58 e A À3 Ámin = À0.46 e A À3 Absolute structure: Flack (1983), with 4219 Friedel pairs Flack parameter: 0.017 (4)
The pyrrolidine ring is slightly twisted from the thiazole ring, with C—N—C—N torsion angles of 4.8 (3) and 3.0 (4) in molecules A and B, respectively
For the stability of the temperature controller used for data collection, see: Cosier & Glazer (1986)
Summary
The asymmetric unit of the title compound, C13H11BrN2OS, consists of two crystallographically independent molecules (A and B). The pyrrolidine ring adopts an envelope conformation with a methylene C atom as the flap atom. In molecule A, the central thiazole ring makes a dihedral angle of 36.69 (11) with the adjacent phenyl ring, whereas the corresponding angle is 36.85 (12) in molecule B. The pyrrolidine ring is slightly twisted from the thiazole ring, with C—N—C—N torsion angles of 4.8 (3) and 3.0 (4) in molecules A and B, respectively. C—HÁ Á Á and – [centroid-to-centroid distance = 3.7539 (14) A ] interactions are observed. The crystal studied was a pseudomerohedral twin with twin law (100 010 101) and a refined component ratio of 0.7188 (5):0.2812 (5)
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