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1H-Benzotriazol-1-yl 4-{(E)-[4-(dimethyl-amino)-phen-yl]diazen-yl}benzoate.

El-Ghayoury A, Zorina L, Khouili M - Acta Crystallogr Sect E Struct Rep Online (2013)

Bottom Line: The dihedral angle between the benzene rings in the (E)-diphenyl-diazene fragment is 10.92 (13)° and that between the benzotriazole mean plane and the central benzene ring is 80.57 (7)°.In the crystal, π-π stacking [centroid-centroid distances = 3.823 (2) and 3.863 (2) Å] of similar fragments generates mol-ecular layers parallel to (0-12).The crystal packing also features weak C-H⋯N hydrogen bonds involving N atoms of the benzotriazole ring.

View Article: PubMed Central - HTML - PubMed

Affiliation: LUNAM Université, Université d'Angers, CNRS UMR 6200, Laboratoire MOLTECH-Anjou, CNRS-UMR 6200, 2 bd. Lavoisier, 49045 Angers, France.

ABSTRACT
The title compound, C(21)H(18)N(6)O(2), was obtained as a by-product of a reaction between (E)-4-(4-dimethyl-amino-phenyl-azo)benzoic acid and 2-amino-4-(2-pyrid-yl)-6-(6-pyrid-yl)-1,3,5-triazine, which has a very low solubility, under peptidic coupling conditions, using THF as solvent. The condensation reaction occurred between 1-hy-droxy-benzotriazole and (E)-4-(4-dimethyl-amino-phenyl-azo)benzoic acid. The dihedral angle between the benzene rings in the (E)-diphenyl-diazene fragment is 10.92 (13)° and that between the benzotriazole mean plane and the central benzene ring is 80.57 (7)°. In the crystal, π-π stacking [centroid-centroid distances = 3.823 (2) and 3.863 (2) Å] of similar fragments generates mol-ecular layers parallel to (0-12). The crystal packing also features weak C-H⋯N hydrogen bonds involving N atoms of the benzotriazole ring.

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The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.


1H-Benzotriazol-1-yl 4-{(E)-[4-(dimethyl-amino)-phen-yl]diazen-yl}benzoate.

El-Ghayoury A, Zorina L, Khouili M - Acta Crystallogr Sect E Struct Rep Online (2013)

The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3569792&req=5

Fap1: The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: The dihedral angle between the benzene rings in the (E)-diphenyl-diazene fragment is 10.92 (13)° and that between the benzotriazole mean plane and the central benzene ring is 80.57 (7)°.In the crystal, π-π stacking [centroid-centroid distances = 3.823 (2) and 3.863 (2) Å] of similar fragments generates mol-ecular layers parallel to (0-12).The crystal packing also features weak C-H⋯N hydrogen bonds involving N atoms of the benzotriazole ring.

View Article: PubMed Central - HTML - PubMed

Affiliation: LUNAM Université, Université d'Angers, CNRS UMR 6200, Laboratoire MOLTECH-Anjou, CNRS-UMR 6200, 2 bd. Lavoisier, 49045 Angers, France.

ABSTRACT
The title compound, C(21)H(18)N(6)O(2), was obtained as a by-product of a reaction between (E)-4-(4-dimethyl-amino-phenyl-azo)benzoic acid and 2-amino-4-(2-pyrid-yl)-6-(6-pyrid-yl)-1,3,5-triazine, which has a very low solubility, under peptidic coupling conditions, using THF as solvent. The condensation reaction occurred between 1-hy-droxy-benzotriazole and (E)-4-(4-dimethyl-amino-phenyl-azo)benzoic acid. The dihedral angle between the benzene rings in the (E)-diphenyl-diazene fragment is 10.92 (13)° and that between the benzotriazole mean plane and the central benzene ring is 80.57 (7)°. In the crystal, π-π stacking [centroid-centroid distances = 3.823 (2) and 3.863 (2) Å] of similar fragments generates mol-ecular layers parallel to (0-12). The crystal packing also features weak C-H⋯N hydrogen bonds involving N atoms of the benzotriazole ring.

No MeSH data available.


Related in: MedlinePlus