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3-{[6-(4-Chloro-phen-yl)imidazo[2,1-b][1,3,4]thia-diazol-2-yl]meth-yl}-1,2-benzoxazole.

ABSTRACT: In the title compound, C(18)H(11)ClN(4)OS, the benzisoxazole and imidazothia-diazole rings are inclined at an angle of 23.81?(7)° with respect to each other. The imidazothia-diazole and chloro-phenyl rings make a dihedral angle of 27.34?(3)°. In the crystal, inter-molecular C-H?N inter-actions generate a chain along the c axis and C-H?O inter-actions form centrosymmetric dimers resulting in an R(2) (2)(26) graph-set motif. Moreover, the C-H?N and S?N [3.206?(4)?Å] inter-actions links the mol-ecules into R(7) ring motifs. The packing is further stabilized by ?-? stacking inter-actions between the thia-diazole rings with a shortest centroid-centroid distance of 3.497?(3)?Å. In addition, C-H?? inter-actions are observed in the crystal structure.

SUBMITTER: Banu A

PROVIDER: S-EPMC3052169 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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3-{[6-(4-Chloro-phen-yl)imidazo[2,1-b][1,3,4]thia-diazol-2-yl]meth-yl}-1,2-benzoxazole.

Banu Afshan A Ziaulla Mohamed M Begum Noor Shahina NS Lamani Ravi S RS Khazi I M IM

Acta crystallographica. Section E, Structure reports online 20110212 Pt 3

In the title compound, C(18)H(11)ClN(4)OS, the benzisoxazole and imidazothia-diazole rings are inclined at an angle of 23.81 (7)° with respect to each other. The imidazothia-diazole and chloro-phenyl rings make a dihedral angle of 27.34 (3)°. In the crystal, inter-molecular C-H⋯N inter-actions generate a chain along the c axis and C-H⋯O inter-actions form centrosymmetric dimers resulting in an R(2) (2)(26) graph-set motif. Moreover, the C-H⋯N and S⋯N [3.206 (4) Å] inter-actions links the mol-ecu ...[more]

PMID: 21522374

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