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2-Benzoylmethyl-4-[(2-benzylidene-ethylidene)amino]-5-(2-thienylmethyl)-2H-1,2,4-triazol-3(4H)-one.

ABSTRACT: In the mol-ecule of the title compound, C(24)H(20)N(4)O(2)S, the dihedral angle between the triazole and thio-phene rings is 66.80?(4)° and the dihedral angle between the two benzene rings is 63.37?(4)°. An intra-molecular C-H?O inter-action results in the formation of a six-membered ring. A ??? contact between the benzene rings, [centroid-centroid distance = 3.918?(2)?Å] may stabilize the structure. Weak C-H?? inter-actions are also present. The S, C and H atoms of the thiophene ring are disordered over two positions and were refined with occupancies of 0.654?(3) and 0.346?(3).

SUBMITTER: Ustabas R

PROVIDER: S-EPMC2977695 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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2-Benzoylmethyl-4-[(2-benzylidene-ethylidene)amino]-5-(2-thienylmethyl)-2H-1,2,4-triazol-3(4H)-one.

Ustabaş Reşat R Unver Yasemin Y Suleymanoğlu Nevin N Coruh Ufuk U Sancak Kemal K

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

In the mol-ecule of the title compound, C(24)H(20)N(4)O(2)S, the dihedral angle between the triazole and thio-phene rings is 66.80 (4)° and the dihedral angle between the two benzene rings is 63.37 (4)°. An intra-molecular C-H⋯O inter-action results in the formation of a six-membered ring. A π⋯π contact between the benzene rings, [centroid-centroid distance = 3.918 (2) Å] may stabilize the structure. Weak C-H⋯π inter-actions are also present. The S, C and H atoms of the thiophene ring are disord ...[more]

PMID: 21583831

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