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

Ustabaş R, Unver Y, Suleymanoğlu N, Coruh U, Sancak K - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.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).

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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 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 disordered over two positions and were refined with occupancies of 0.654 (3) and 0.346 (3).

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.


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

Ustabaş R, Unver Y, Suleymanoğlu N, Coruh U, Sancak K - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977695&req=5

Fap1: The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: 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.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).

View Article: PubMed Central - HTML - PubMed

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 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 disordered over two positions and were refined with occupancies of 0.654 (3) and 0.346 (3).

No MeSH data available.


Related in: MedlinePlus