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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].

SUBMITTER: Fun HK

PROVIDER: S-EPMC3089255 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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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.

Fun Hoong-Kun HK Asik Safra Izuani Jama SI Razak Ibrahim Abdul IA Nithinchandra Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5

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, π-π stacking inter-actions are observed between thio ...[more]

PMID: 21754553

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