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N-[4-Acetyl-5-(4-fluoro-phen-yl)-4,5-di-hydro-1,3,4-thia-diazol-2-yl]acetamide.

ABSTRACT: The title mol-ecule, C12H12FN3O2S, shows a short intra-molecular S?O contact of 2.682?(18)?Å. The dihedral angle between the thia-diazole ring and the benzene ring is 86.82?(11)°. In the crystal, N-H?O and C-H?O hydrogen bonds generate an R 2 (1)(6) graph-set motif between adjacent mol-ecules. Pairs of futher C-H?O hydrogen bonds form inversion dimers with R 2 (2)(8) ring motifs. These combine to generate a three-dimensional network and stack the mol-ecules along the b axis.

SUBMITTER: Kavitha HD

PROVIDER: S-EPMC3648237 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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N-[4-Acetyl-5-(4-fluoro-phen-yl)-4,5-di-hydro-1,3,4-thia-diazol-2-yl]acetamide.

Kavitha H D HD Marganakop Sheetal B SB Kamble Ravindra R RR Roopashree K R KR Devarajegowda H C HC

Acta crystallographica. Section E, Structure reports online 20130413 Pt 5

The title mol-ecule, C12H12FN3O2S, shows a short intra-molecular S⋯O contact of 2.682 (18) Å. The dihedral angle between the thia-diazole ring and the benzene ring is 86.82 (11)°. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds generate an R 2 (1)(6) graph-set motif between adjacent mol-ecules. Pairs of futher C-H⋯O hydrogen bonds form inversion dimers with R 2 (2)(8) ring motifs. These combine to generate a three-dimensional network and stack the mol-ecules along the b axis. ...[more]

PMID: 23723857

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