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Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth-yl]sulfan-yl}phenol.

Zhang YL, Zhang C, Guo W, Wang J - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group.These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions.Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

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Affiliation: School of Pharmaceutial Science, Hebei Medical University, Shijiazhuang 050017, People's Republic of China.

ABSTRACT
In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds involving the phenol -OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions. Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 40% probability level.
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Fap1: The molecular structure of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 40% probability level.


Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)meth-yl]sulfan-yl}phenol.

Zhang YL, Zhang C, Guo W, Wang J - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 40% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257201&req=5

Fap1: The molecular structure of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 40% probability level.
Bottom Line: In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group.These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions.Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmaceutial Science, Hebei Medical University, Shijiazhuang 050017, People's Republic of China.

ABSTRACT
In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds involving the phenol -OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C-H⋯N hydrogen-bond inter-actions. Aromatic π-π stacking [centroid-centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus