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Tris[2-(2H-indazol-2-yl)eth-yl]amine.

Ovalle S, Elizondo Martínez P, Pérez Rodríguez N, Bernès S, Flores-Alamo M - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: Two symmetry-related indazole planes in the mol-ecule make an acute angle of 60.39 (4)°.The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand).In the crystal, neither significant π-π nor C-H⋯π inter-actions between molecules are found.

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ABSTRACT
The title tertiary amine, C(27)H(27)N(7), a potential tripodal ligand for coordination chemistry, crystallizes with the central N atom located on a threefold axis of a trigonal cell. The gauche conformation of the N(amime)-CH(2)-CH(2)-N(indazole) chain [torsion angle = -64.2 (2)°] places the pendant 2H-indazole heterocycles surrounding the symmetry axis, affording a claw-like shaped mol-ecule. Two symmetry-related indazole planes in the mol-ecule make an acute angle of 60.39 (4)°. The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand). In the crystal, neither significant π-π nor C-H⋯π inter-actions between molecules are found.

No MeSH data available.


Related in: MedlinePlus

ORTEP-like view of the title molecule, with displacement ellipsoids at the 30% probability level for non-H atoms. Unlabeled atoms are generated by symmetry codes: -x + y, 1 - x, z and 1 - y, 1 + x-y, z. The figure on the right is a space filling representation in the same orientation, showing the full shape of the molecule.
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Fap2: ORTEP-like view of the title molecule, with displacement ellipsoids at the 30% probability level for non-H atoms. Unlabeled atoms are generated by symmetry codes: -x + y, 1 - x, z and 1 - y, 1 + x-y, z. The figure on the right is a space filling representation in the same orientation, showing the full shape of the molecule.


Tris[2-(2H-indazol-2-yl)eth-yl]amine.

Ovalle S, Elizondo Martínez P, Pérez Rodríguez N, Bernès S, Flores-Alamo M - Acta Crystallogr Sect E Struct Rep Online (2012)

ORTEP-like view of the title molecule, with displacement ellipsoids at the 30% probability level for non-H atoms. Unlabeled atoms are generated by symmetry codes: -x + y, 1 - x, z and 1 - y, 1 + x-y, z. The figure on the right is a space filling representation in the same orientation, showing the full shape of the molecule.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379441&req=5

Fap2: ORTEP-like view of the title molecule, with displacement ellipsoids at the 30% probability level for non-H atoms. Unlabeled atoms are generated by symmetry codes: -x + y, 1 - x, z and 1 - y, 1 + x-y, z. The figure on the right is a space filling representation in the same orientation, showing the full shape of the molecule.
Bottom Line: Two symmetry-related indazole planes in the mol-ecule make an acute angle of 60.39 (4)°.The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand).In the crystal, neither significant π-π nor C-H⋯π inter-actions between molecules are found.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title tertiary amine, C(27)H(27)N(7), a potential tripodal ligand for coordination chemistry, crystallizes with the central N atom located on a threefold axis of a trigonal cell. The gauche conformation of the N(amime)-CH(2)-CH(2)-N(indazole) chain [torsion angle = -64.2 (2)°] places the pendant 2H-indazole heterocycles surrounding the symmetry axis, affording a claw-like shaped mol-ecule. Two symmetry-related indazole planes in the mol-ecule make an acute angle of 60.39 (4)°. The lone pair of the tertiary N atom is located inside the cavity, and should thus be inactive (as a ligand). In the crystal, neither significant π-π nor C-H⋯π inter-actions between molecules are found.

No MeSH data available.


Related in: MedlinePlus