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3-({4-[(2-Methyl-benzyl-idene)amino]-5-sulfanyl-idene-1H-1,2,4-triazol-3-yl}meth-yl)-1,3-benzoxazol-2(3H)-one.

ABSTRACT: In the title compound, C(18)H(15)N(5)O(2)S, a weak intra-molecular C-H?S hydrogen bond results in a small dihedral angle of 3.71?(9)° between the methyl-phenyl and triazole rings, which, in turn, form dihedral angles of 80.09?(8) and 77.32?(8)°, respectively, with the benzoxazolone mean plane. In the crystal, N-H?O hydrogen bonds link mol-ecules into chains along [001], and weak C-H?N hydrogen bonds and ?-? inter-actions between the five- and six-membered rings [centroid-centroid distances = 3.5074?(11) and 3.616?(1)?Å] consolidate the crystal packing.

SUBMITTER: Ayd?n A 

PROVIDER: S-EPMC3569233 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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3-({4-[(2-Methyl-benzyl-idene)amino]-5-sulfanyl-idene-1H-1,2,4-triazol-3-yl}meth-yl)-1,3-benzoxazol-2(3H)-one.

Aydın Abdullah A   Hekimoğlu Nuray N   Akkurt Mehmet M   Onkol Tijen T   Ciçekli Sölen Urlu SU   Büyükgüngör Orhan O  

Acta crystallographica. Section E, Structure reports online 20130104 Pt 2

In the title compound, C(18)H(15)N(5)O(2)S, a weak intra-molecular C-H⋯S hydrogen bond results in a small dihedral angle of 3.71 (9)° between the methyl-phenyl and triazole rings, which, in turn, form dihedral angles of 80.09 (8) and 77.32 (8)°, respectively, with the benzoxazolone mean plane. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into chains along [001], and weak C-H⋯N hydrogen bonds and π-π inter-actions between the five- and six-membered rings [centroid-centroid distances = 3.5  ...[more]

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