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Crystal structure of 3-[({2-[bis-(2-hy-droxy-benz-yl)amino]-eth-yl}(2-hy-droxy-benz-yl)amino)-meth-yl]-2-hydroxy-5-methyl-benzaldehyde.

Fonseca AS, Bortoluzzi AJ - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H⋯N hydrogen bond.The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H⋯N and O-H⋯O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively.Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.

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Affiliation: Depto. de Química - Universidade Federal de Santa Catarina, 88040-900 Florianópolis, Santa Catarina, Brazil.

ABSTRACT
The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H⋯N hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H⋯N and O-H⋯O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.

No MeSH data available.


Partial packing of (I), showing dimers stacked along [010].
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fig4: Partial packing of (I), showing dimers stacked along [010].

Mentions: In the crystal of (I), inversion dimers with (8) ring motifs are formed by pairs of O—H⋯O hydrogen bonds (Fig. 3 ▶, Table 1 ▶). The approximate planes of the ring motifs of the dimers are arranged as stacks along [010] (Fig. 4 ▶). No π–π stacking inter­actions are observed.


Crystal structure of 3-[({2-[bis-(2-hy-droxy-benz-yl)amino]-eth-yl}(2-hy-droxy-benz-yl)amino)-meth-yl]-2-hydroxy-5-methyl-benzaldehyde.

Fonseca AS, Bortoluzzi AJ - Acta Crystallogr Sect E Struct Rep Online (2014)

Partial packing of (I), showing dimers stacked along [010].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257411&req=5

fig4: Partial packing of (I), showing dimers stacked along [010].
Mentions: In the crystal of (I), inversion dimers with (8) ring motifs are formed by pairs of O—H⋯O hydrogen bonds (Fig. 3 ▶, Table 1 ▶). The approximate planes of the ring motifs of the dimers are arranged as stacks along [010] (Fig. 4 ▶). No π–π stacking inter­actions are observed.

Bottom Line: In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H⋯N hydrogen bond.The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H⋯N and O-H⋯O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively.Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.

View Article: PubMed Central - HTML - PubMed

Affiliation: Depto. de Química - Universidade Federal de Santa Catarina, 88040-900 Florianópolis, Santa Catarina, Brazil.

ABSTRACT
The non-symmetric title mol-ecule, C32H34N2O5, is based on a tetra-substituted ethyl-enedi-amine backbone. The mol-ecular structure consists of three hy-droxy-benzyl groups and one 2-hy-droxy-5-methyl-benzaldehyde group bonded to the N atoms of the di-amine unit. The ethyl-enedi-amine skeleton shows a regular extended conformation, while the spatial orientation of the phenol arms is governed by hydrogen bonds. In the 2-hy-droxy-5-methyl-benzaldehyde group, an intra-molecular S(6) O-H⋯O hydrogen bond is observed between the alcohol and aldehyde functions, and the neighbouring phenol arm participates in an intra-molecular S(6) O-H⋯N hydrogen bond. The third phenol group is involved in a bifurcated intra-molecular hydrogen bond with graph-set notation S(6) for O-H⋯N and O-H⋯O intra-molecular hydrogen bonds between neighbouring amine and phenol arms, respectively. Finally, the fourth phenol group acts as an acceptor in a bifurcated intra-molecular hydrogen bond and also acts as donor in an inter-molecular hydrogen bond, which connects inversion-related mol-ecules into dimers with R 4 (4)(8) ring motifs.

No MeSH data available.