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3-Bromo-2-[4-(methyl-sulfan-yl)phen-yl]-5,6,7,8-tetra-hydro-1,3-benzo-thia-zolo[3,2-a]imidazole.

ABSTRACT: In the title mol-ecule, C16H15BrN2S2, the central imidazo[2,1-b]thia-zole fragment is almost planar (r.m.s. deviation = 0.012?Å), and the fused 5,6,7,8-tetra-hydro-benzene ring adopts an unsymmetrical half-chair conformation. The dihedral angle between the imidazo[2,1-b]thia-zole and benzene planes is 18.25?(4)°. The terminal methyl-sulfanyl substituent lies practically within the benzene plane [the dihedral angle between the corresponding planes is 7.20?(10)°] and is turned toward the C-Br bond. In the crystal, mol-ecules form infinite chains along [100] via secondary Br?N inter-actions [3.1861?(16)?Å]. The chains are arranged at van der Waals distances.

SUBMITTER: Bunev AS

PROVIDER: S-EPMC4011264 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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3-Bromo-2-[4-(methyl-sulfan-yl)phen-yl]-5,6,7,8-tetra-hydro-1,3-benzo-thia-zolo[3,2-a]imidazole.

Bunev Alexander S AS Sukhonosova Elena V EV Statsyuk Vladimir E VE Ostapenko Gennady I GI Khrustalev Victor N VN

Acta crystallographica. Section E, Structure reports online 20140426 Pt 5

In the title mol-ecule, C16H15BrN2S2, the central imidazo[2,1-b]thia-zole fragment is almost planar (r.m.s. deviation = 0.012 Å), and the fused 5,6,7,8-tetra-hydro-benzene ring adopts an unsymmetrical half-chair conformation. The dihedral angle between the imidazo[2,1-b]thia-zole and benzene planes is 18.25 (4)°. The terminal methyl-sulfanyl substituent lies practically within the benzene plane [the dihedral angle between the corresponding planes is 7.20 (10)°] and is turned toward the C-Br bond ...[more]

PMID: 24860393

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