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Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Vaarla K, Rao VR, Akkurt M - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: In the title compound, C14H11N5OS2, the triazolo-thia-diazole system is essentially planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 6.33 (12) and 42.95 (14)° with the planes of the oxazole and phenyl rings, respectively.In the crystal, face-to-face π-π inter-actions are observed between the thia-diazole and oxazole rings [centroid-centroid distance = 3.4707 (18) Å], leading to columns along [010].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, National Institute of Technology, Warangal, Telangana 506004, India.

ABSTRACT
In the title compound, C14H11N5OS2, the triazolo-thia-diazole system is essentially planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 6.33 (12) and 42.95 (14)° with the planes of the oxazole and phenyl rings, respectively. In the crystal, face-to-face π-π inter-actions are observed between the thia-diazole and oxazole rings [centroid-centroid distance = 3.4707 (18) Å], leading to columns along [010].

No MeSH data available.


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


Crystal structure of 3-benzyl-sulfanyl-6-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Vaarla K, Rao VR, Akkurt M - Acta Crystallogr E Crystallogr Commun (2015)

The title molecule 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=PMC4645033&req=5

Fap1: The title molecule with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 30% probability level.
Bottom Line: In the title compound, C14H11N5OS2, the triazolo-thia-diazole system is essentially planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 6.33 (12) and 42.95 (14)° with the planes of the oxazole and phenyl rings, respectively.In the crystal, face-to-face π-π inter-actions are observed between the thia-diazole and oxazole rings [centroid-centroid distance = 3.4707 (18) Å], leading to columns along [010].

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, National Institute of Technology, Warangal, Telangana 506004, India.

ABSTRACT
In the title compound, C14H11N5OS2, the triazolo-thia-diazole system is essentially planar (r.m.s. deviation = 0.002 Å) and makes dihedral angles of 6.33 (12) and 42.95 (14)° with the planes of the oxazole and phenyl rings, respectively. In the crystal, face-to-face π-π inter-actions are observed between the thia-diazole and oxazole rings [centroid-centroid distance = 3.4707 (18) Å], leading to columns along [010].

No MeSH data available.