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7-(4-Chloro-benzyl-idene)-3-[(4-chloro-phen-oxy)meth-yl]-6-(4-nitro-thio-phen-2-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.


ABSTRACT: In the title compound, C(22)H(13)Cl(2)N(5)O(3)S(2), the thia-diazine ring adopts a half-chair conformation. The benzene rings of the chloro-phen-oxy and chloro-benzyl groups and the thio-phene ring form dihedral angles of 35.6?(1), 80.7?(1) and 14.2?(1)°, respectively, with the triazole ring. In the crystal, mol-ecules are connected into sheets parallel to ([Formula: see text]11) by inter-molecular C-H?N and C-H?Cl hydrogen bonds. In addition, ?-? stacking inter-actions are observed between thio-phene and triazole rings, and between inversion-related triazole rings [centroid-centroid distances = 3.5975?(11) and 3.4324?(11)?Å].

PROVIDER: S-EPMC3089255 | BioStudies |

REPOSITORIES: biostudies

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