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1-(3-Bromo-prop-yl)-4-(2-pyrid-yl)-1H-1,2,3-triazole.

Crowley JD, Bandeen PH, Hanton LR - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: The dimers are stabilized through π-π inter-actions [centroid-centroid distance = 3.733 (4) Å and mean inter-planar distance = 3.806 (12) Å] between the substituted 1,2,3-triazole ring and the pyridine rings in adjacent mol-ecules.Each dimer inter-acts with two neighbouring dimers above and below, forming a slipped stack of dimers through the crystal.The 3-bromo-propyl chain sits over the pyridine ring of a neighbouring mol-ecule and the triazole rings of nearby mol-ecules are adjacent.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.

ABSTRACT
In the structure of the title compound, C(10)H(11)BrN(4), the plane of the substituted 1,2,3-triazole ring is tilted by 14.84 (10)° with respect to the mean plane of the pyridine ring. The pyridine and closest triazole N atoms adopt an anti arrangement which removes any lone pair-lone pair repulsions between the N atoms. This conformation is further stabilized by weak intermolecular C-H⋯N inter-actions. There are two mol-ecules in the unit cell, which form a centrosymmetric head-to-tail dimer. The dimers are stabilized through π-π inter-actions [centroid-centroid distance = 3.733 (4) Å and mean inter-planar distance = 3.806 (12) Å] between the substituted 1,2,3-triazole ring and the pyridine rings in adjacent mol-ecules. Each dimer inter-acts with two neighbouring dimers above and below, forming a slipped stack of dimers through the crystal. The 3-bromo-propyl chain sits over the pyridine ring of a neighbouring mol-ecule and the triazole rings of nearby mol-ecules are adjacent.

No MeSH data available.


A spacefilling representation of the unit cell of 1 showing the head-to-tail stacking of the molecules.
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Fap2: A spacefilling representation of the unit cell of 1 showing the head-to-tail stacking of the molecules.


1-(3-Bromo-prop-yl)-4-(2-pyrid-yl)-1H-1,2,3-triazole.

Crowley JD, Bandeen PH, Hanton LR - Acta Crystallogr Sect E Struct Rep Online (2009)

A spacefilling representation of the unit cell of 1 showing the head-to-tail stacking of the molecules.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977690&req=5

Fap2: A spacefilling representation of the unit cell of 1 showing the head-to-tail stacking of the molecules.
Bottom Line: The dimers are stabilized through π-π inter-actions [centroid-centroid distance = 3.733 (4) Å and mean inter-planar distance = 3.806 (12) Å] between the substituted 1,2,3-triazole ring and the pyridine rings in adjacent mol-ecules.Each dimer inter-acts with two neighbouring dimers above and below, forming a slipped stack of dimers through the crystal.The 3-bromo-propyl chain sits over the pyridine ring of a neighbouring mol-ecule and the triazole rings of nearby mol-ecules are adjacent.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.

ABSTRACT
In the structure of the title compound, C(10)H(11)BrN(4), the plane of the substituted 1,2,3-triazole ring is tilted by 14.84 (10)° with respect to the mean plane of the pyridine ring. The pyridine and closest triazole N atoms adopt an anti arrangement which removes any lone pair-lone pair repulsions between the N atoms. This conformation is further stabilized by weak intermolecular C-H⋯N inter-actions. There are two mol-ecules in the unit cell, which form a centrosymmetric head-to-tail dimer. The dimers are stabilized through π-π inter-actions [centroid-centroid distance = 3.733 (4) Å and mean inter-planar distance = 3.806 (12) Å] between the substituted 1,2,3-triazole ring and the pyridine rings in adjacent mol-ecules. Each dimer inter-acts with two neighbouring dimers above and below, forming a slipped stack of dimers through the crystal. The 3-bromo-propyl chain sits over the pyridine ring of a neighbouring mol-ecule and the triazole rings of nearby mol-ecules are adjacent.

No MeSH data available.