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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 A, Hekimoğlu N, Akkurt M, Onkol T, Ciçekli SU, Büyükgüngör O - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: 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 = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Science Education, Faculty of Education, Kastamonu University, 37200 Kastamonu, Turkey.

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 π-π inter-actions between the five- and six-membered rings [centroid-centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.

No MeSH data available.


The molecule shown with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.
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Fap1: The molecule shown with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.


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 A, Hekimoğlu N, Akkurt M, Onkol T, Ciçekli SU, Büyükgüngör O - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecule shown with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569233&req=5

Fap1: The molecule shown with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.
Bottom Line: 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 = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Science Education, Faculty of Education, Kastamonu University, 37200 Kastamonu, Turkey.

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 π-π inter-actions between the five- and six-membered rings [centroid-centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.

No MeSH data available.