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Crystal structure of 4-({5-[(E)-(3,5-di-fluoro-phen-yl)diazen-yl]-2-hy-droxy-benzyl-idene}amino)-2,2,6,6-tetra-methyl-piperidin-1-ox-yl.

Tatsız R, Kasumov VT, Tunc T, Hökelek T - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The piperidine rings in the two mol-ecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N-O bonds.An intra-molecular O-H⋯N hydrogen bond between the hy-droxy group and the imine N atom is observed in both mol-ecules.In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds, enclosing R 2 (2)(6) ring motifs, and weak π-π stacking inter-actions link the mol-ecules into a three-dimensional supra-molecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent mol-ecules of 3.975 (2) and 3.782 (2) Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Harran University, 63300 Osmanbey, Şanlıurfa, Turkey.

ABSTRACT
The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent mol-ecules. In one mol-ecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other mol-ecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two mol-ecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N-O bonds. An intra-molecular O-H⋯N hydrogen bond between the hy-droxy group and the imine N atom is observed in both mol-ecules. In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds, enclosing R 2 (2)(6) ring motifs, and weak π-π stacking inter-actions link the mol-ecules into a three-dimensional supra-molecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent mol-ecules of 3.975 (2) and 3.782 (2) Å.

No MeSH data available.


The mol­ecular structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Intra­molecular O—H⋯N hydrogen bonds are shown as dashed lines. C-bound H atoms have been omitted for clarity.
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fig1: The mol­ecular structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Intra­molecular O—H⋯N hydrogen bonds are shown as dashed lines. C-bound H atoms have been omitted for clarity.

Mentions: The asymmetric unit of the title compound contains two crystallographically independent mol­ecules (Fig. 1 ▸). The mol­ecules include short intra­molecular O—H ⋯ N hydrogen bonds (Table 1 ▸), which mean that the ligand is in the phenol–imine form. The C=N imine bond distances and C—N—C bond angles (Table 1 ▸) also indicate the existence of the phenol–imine tautomer, and they are comparable with the corresponding values of 1.276 (2), 1.279 (2) Å and 124.64 (17), 123.05 (16)° in 1,3-bis­[2-(2-hy­droxy­benzyl­idene-amino)­phen­oxy]propane (Hökelek et al., 2004 ▸).


Crystal structure of 4-({5-[(E)-(3,5-di-fluoro-phen-yl)diazen-yl]-2-hy-droxy-benzyl-idene}amino)-2,2,6,6-tetra-methyl-piperidin-1-ox-yl.

Tatsız R, Kasumov VT, Tunc T, Hökelek T - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Intra­molecular O—H⋯N hydrogen bonds are shown as dashed lines. C-bound H atoms have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4518987&req=5

fig1: The mol­ecular structure of the title compound, showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Intra­molecular O—H⋯N hydrogen bonds are shown as dashed lines. C-bound H atoms have been omitted for clarity.
Mentions: The asymmetric unit of the title compound contains two crystallographically independent mol­ecules (Fig. 1 ▸). The mol­ecules include short intra­molecular O—H ⋯ N hydrogen bonds (Table 1 ▸), which mean that the ligand is in the phenol–imine form. The C=N imine bond distances and C—N—C bond angles (Table 1 ▸) also indicate the existence of the phenol–imine tautomer, and they are comparable with the corresponding values of 1.276 (2), 1.279 (2) Å and 124.64 (17), 123.05 (16)° in 1,3-bis­[2-(2-hy­droxy­benzyl­idene-amino)­phen­oxy]propane (Hökelek et al., 2004 ▸).

Bottom Line: The piperidine rings in the two mol-ecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N-O bonds.An intra-molecular O-H⋯N hydrogen bond between the hy-droxy group and the imine N atom is observed in both mol-ecules.In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds, enclosing R 2 (2)(6) ring motifs, and weak π-π stacking inter-actions link the mol-ecules into a three-dimensional supra-molecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent mol-ecules of 3.975 (2) and 3.782 (2) Å.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Harran University, 63300 Osmanbey, Şanlıurfa, Turkey.

ABSTRACT
The asymmetric unit of the title compound, C22H25F2N4O2, contains two crystallographically independent mol-ecules. In one mol-ecule, the two benzene rings are oriented at a dihedral angle of 1.93 (10)° and in the other mol-ecule the corresponding dihedral angle is 7.19 (9)°. The piperidine rings in the two mol-ecules adopt a similar distorted chair conformation, and both have pseudo-mirror planes passing through the N-O bonds. An intra-molecular O-H⋯N hydrogen bond between the hy-droxy group and the imine N atom is observed in both mol-ecules. In the crystal, weak C-H⋯O and C-H⋯F hydrogen bonds, enclosing R 2 (2)(6) ring motifs, and weak π-π stacking inter-actions link the mol-ecules into a three-dimensional supra-molecular network, with centroid-to-centroid distances between the nearly parallel phenyl and benzene rings of adjacent mol-ecules of 3.975 (2) and 3.782 (2) Å.

No MeSH data available.